3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride

C9H13ClN2O — CID 154577018

IUPAC3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride
SMILESCl.O=c1[nH]cccc1C1CCCN1
InChIInChI=1S/C9H12N2O.ClH/c12-9-7(3-1-6-11-9)8-4-2-5-10-8;/h1,3,6,8,10H,2,4-5H2,(H,11,12);1H
InChIKeyRZQQJEMMCZEQKO-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.22
Rot. Bonds1

About 3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride

3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride (PubChem CID 154577018) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride
PubChem CID154577018
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride
SMILESCl.O=c1[nH]cccc1C1CCCN1
InChIInChI=1S/C9H12N2O.ClH/c12-9-7(3-1-6-11-9)8-4-2-5-10-8;/h1,3,6,8,10H,2,4-5H2,(H,11,12);1H
InChIKeyRZQQJEMMCZEQKO-UHFFFAOYSA-N
XLogP1.22
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol
CID 439886
6-Hydroxynicotine
CID 249885
(S)-6-Hydroxynicotine
CID 439383
(S)-6-hydroxynicotinium(1+)
CID 6955053
(R)-6-hydroxynicotinium
CID 11860612
6-Hydroxynornicotine
CID 162640005
N-Methylnicoton
CID 191522
5-(Pyrrolidin-2-yl)pyridin-2-ol dihydrochloride
CID 155820314
5-(Pyrrolidin-2-yl)pyridin-2-ol
CID 55292345
3-(Pyrrolidin-2-yl)pyridin-2-ol
CID 55293976
3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one
CID 68914425
3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one
CID 68992846

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride (CID 154577018) is 3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride is Cl.O=c1[nH]cccc1C1CCCN1.
What is the InChIKey of 3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride?
The InChIKey is RZQQJEMMCZEQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c12-9-7(3-1-6-11-9)8-4-2-5-10-8;/h1,3,6,8,10H,2,4-5H2,(H,11,12);1H.
What are the key properties of 3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride?
3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 154577018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).