1-acetyl-N-oxopyrrolidine-3-carboxamide

C7H10N2O3 — CID 118074956

IUPAC1-acetyl-N-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)N=O)C1
InChIInChI=1S/C7H10N2O3/c1-5(10)9-3-2-6(4-9)7(11)8-12/h6H,2-4H2,1H3
InChIKeyKDYMUUXAYOASKM-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.15
Rot. Bonds1

About 1-acetyl-N-oxopyrrolidine-3-carboxamide

1-acetyl-N-oxopyrrolidine-3-carboxamide (PubChem CID 118074956) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-acetyl-N-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-oxopyrrolidine-3-carboxamide
PubChem CID118074956
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-acetyl-N-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)N=O)C1
InChIInChI=1S/C7H10N2O3/c1-5(10)9-3-2-6(4-9)7(11)8-12/h6H,2-4H2,1H3
InChIKeyKDYMUUXAYOASKM-UHFFFAOYSA-N
XLogP0.15
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide
CID 130660566
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone
CID 115006793
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine
CID 169177339
1-[(3R)-3-bromopyrrolidin-1-yl]ethanone
CID 66569138
ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 126758675

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-oxopyrrolidine-3-carboxamide (CID 118074956) is 1-acetyl-N-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-oxopyrrolidine-3-carboxamide is CC(=O)N1CCC(C(=O)N=O)C1.
What is the InChIKey of 1-acetyl-N-oxopyrrolidine-3-carboxamide?
The InChIKey is KDYMUUXAYOASKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5(10)9-3-2-6(4-9)7(11)8-12/h6H,2-4H2,1H3.
What are the key properties of 1-acetyl-N-oxopyrrolidine-3-carboxamide?
1-acetyl-N-oxopyrrolidine-3-carboxamide has a molecular weight of 170.17 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 118074956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).