1-acetyl-2-methylpyrrolidin-3-one

C7H11NO2 — CID 91618567

IUPAC1-acetyl-2-methylpyrrolidin-3-one
SMILESCC(=O)N1CCC(=O)C1C
InChIInChI=1S/C7H11NO2/c1-5-7(10)3-4-8(5)6(2)9/h5H,3-4H2,1-2H3
InChIKeyFQPBFIJCAMJTFI-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.20
Rot. Bonds

About 1-acetyl-2-methylpyrrolidin-3-one

1-acetyl-2-methylpyrrolidin-3-one (PubChem CID 91618567) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-acetyl-2-methylpyrrolidin-3-one.

Molecular Properties

Compound Name1-acetyl-2-methylpyrrolidin-3-one
PubChem CID91618567
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-acetyl-2-methylpyrrolidin-3-one
SMILESCC(=O)N1CCC(=O)C1C
InChIInChI=1S/C7H11NO2/c1-5-7(10)3-4-8(5)6(2)9/h5H,3-4H2,1-2H3
InChIKeyFQPBFIJCAMJTFI-UHFFFAOYSA-N
XLogP0.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-methyl-4-methylidenepiperidin-1-yl)ethanone
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1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
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1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 121365379
(2S,5R)-1-acetyl-2,5-dimethylpiperidin-4-one
CID 71381735
4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 24716337
methyl 1-acetyl-3-oxopiperidine-2-carboxylate
CID 82397953
methyl 1-acetyl-4-oxopiperidine-3-carboxylate
CID 14143329
(3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 93288984
1-acetyl-4-methylidenepiperidine-2-carboxylic acid
CID 167716664
1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone
CID 70595862

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-methylpyrrolidin-3-one?
The IUPAC name of 1-acetyl-2-methylpyrrolidin-3-one (CID 91618567) is 1-acetyl-2-methylpyrrolidin-3-one.
What is the SMILES notation for 1-acetyl-2-methylpyrrolidin-3-one?
The canonical SMILES for 1-acetyl-2-methylpyrrolidin-3-one is CC(=O)N1CCC(=O)C1C.
What is the InChIKey of 1-acetyl-2-methylpyrrolidin-3-one?
The InChIKey is FQPBFIJCAMJTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-7(10)3-4-8(5)6(2)9/h5H,3-4H2,1-2H3.
What are the key properties of 1-acetyl-2-methylpyrrolidin-3-one?
1-acetyl-2-methylpyrrolidin-3-one has a molecular weight of 141.17 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-methylpyrrolidin-3-one is sourced from PubChem (CID 91618567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).