3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one

C11H14N2O2 — CID 102539627

IUPAC3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one
SMILESCC(=O)N1CCCC1c1ccc[nH]c1=O
InChIInChI=1S/C11H14N2O2/c1-8(14)13-7-3-5-10(13)9-4-2-6-12-11(9)15/h2,4,6,10H,3,5,7H2,1H3,(H,12,15)
InChIKeyPBYZFMLNMQTPIZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.06
Rot. Bonds1

About 3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one

3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one (PubChem CID 102539627) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one
PubChem CID102539627
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one
SMILESCC(=O)N1CCCC1c1ccc[nH]c1=O
InChIInChI=1S/C11H14N2O2/c1-8(14)13-7-3-5-10(13)9-4-2-6-12-11(9)15/h2,4,6,10H,3,5,7H2,1H3,(H,12,15)
InChIKeyPBYZFMLNMQTPIZ-UHFFFAOYSA-N
XLogP1.06
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-amino-2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 82279491
3-cyclohexyl-1H-pyridin-2-one
CID 54127669
1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone
CID 123464427
1-[(2R)-2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone
CID 139061271
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540000
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47323235
3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 47380030
1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102539767
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one (CID 102539627) is 3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one is CC(=O)N1CCCC1c1ccc[nH]c1=O.
What is the InChIKey of 3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one?
The InChIKey is PBYZFMLNMQTPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(14)13-7-3-5-10(13)9-4-2-6-12-11(9)15/h2,4,6,10H,3,5,7H2,1H3,(H,12,15).
What are the key properties of 3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one?
3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 102539627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).