Nicotine (ISO); 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine (CAS 54-11-5)

Nicotine

CAS 54-11-5  ·  C10H14N2  ·  MW 162.23 g/mol

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3D model Nicotine, CAS 54-11-5, molecular formula C10H14N2, molar mass 162.23 g/mol
About Nicotine (ISO); 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine (CAS 54-11-5)

Nicotine (ISO); 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine (CAS 54-11-5) is a chemical compound registered under number CAS 54-11-5, with the molecular formula C10H14N2, and a molar mass of 162.23 g/mol.

The molecule contains 26 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.2 (positive value, a lipophilic compound), polar surface area PSA = 16.1 Ų, 0 donors and 2 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC10H14N2
Molar mass162.23 g/mol
IUPAC3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1CCC[C@H]1C2=CN=CC=C2
InChIKeySNICXCGAKADSCV-JTQLQIEISA-N
logP (XLogP3)1.2
PSA16.1 Ų
HBD / HBA0 / 2
PubChem CIDCID 89594 ↗
GHS safety

Signal word: Danger

GHS06
GHS06
GHS09
GHS09

H330 — Fatal if inhaled

H310 — Fatal in contact with skin

H300 — Fatal if swallowed

H411 — Toxic to aquatic life with long lasting effects

Scientific literature

Related literature

13 articles · 8 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (number of articles: 13)

2004: number of articles 120042012: number of articles 12015: number of articles 120152025: number of articles 72026: number of articles 32026

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
nicotine · L-Nicotine · 54-11-5 · (-)-Nicotine · (S)-Nicotine · (S)-3-(1-methylpyrrolidin-2-yl)pyridine · (S)-(-)-Nicotine · Habitrol · Nicotrol · 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine · Nicoderm · Nicoderm Cq · Fumetobac · Nicocide · Prostep
Data sources
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Related molecules
📜 License & provenanceMolGod_License_1
Model
Nicotine · 54-11-5
InChIKey
SNICXCGAKADSCV-JTQLQIEISA-N
License & provenance record
Nicotine (CAS 54-11-5) →
MolGod molecule record
Nicotine →
Source data
PubChem CID 89594 ↗
Model information
not published yet

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