2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-

HCID 414CAS 79581-34-3
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Basic information

Standard SMILES
CN1C(=O)C(O)CC1c1cccnc1
InChIKey
XOKCJXZZNAUIQN-UHFFFAOYSA-N
Molecular formula
C10H12N2O2
Average molar mass
192.21 g/mol

Overview

2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)- is a member of pyridines and a member of pyrrolidines.

Names & identifiers

Preferred name
2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-
IUPAC
3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

Names & synonyms

2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-79581-34-3RefChem:10647603-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one3-hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-oneSCHEMBL4538005CHEBI:181957XOKCJXZZNAUIQN-UHFFFAOYSA-NAKOS026719402NS00010478F2185-0729

Database identifiers

CAS
79581-34-3
PubChem CID
414
ChEBI
CHEBI:181957
Nikkaji
J1.447.963E

Properties

Computed structural properties

XLogP
-0.9
Topological polar surface area
53.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14

Experimental & physicochemical properties

LogP-1.22

Chemistry & industry

Pharmacology

Metabolism/MetabolitesTrans-3'-Hydroxycotinine is a known thirdhand smoke metabolite of Nicotine.

Related reactions

2 records
New reaction record

Linked notes

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