N-Methyl-2-oxocyclopentane-1-carboxamide

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Basic information

CAS: 82634-76-2
Standard SMILES: CNC(=O)C1CCCC1=O
InChIKey: MBXHFKYMBGGDLG-UHFFFAOYSA-N
Molecular formula: C7H11NO2
Average molar mass: 141.17 g/mol
Monoisotopic mass: 141.07897859

Names & identifiers

Preferred name: N-Methyl-2-oxocyclopentane-1-carboxamide
IUPAC: N-methyl-2-oxocyclopentane-1-carboxamide
English name: Cyclopentanecarboxamide, N-methyl-2-oxo- (6CI,9CI)
Molecular formula: C7H11NO2
Molecular weight: 141.17

Names & synonyms

N-Methyl-2-oxocyclopentane-1-carboxamide82634-76-2Cyclopentanecarboxamide, N-methyl-2-oxo-SCHEMBL10741162DTXSID00603136MBXHFKYMBGGDLG-UHFFFAOYSA-N2-(N-methylcarbamoyl)cyclopentanoneAKOS006358703Cyclopentanecarboxamide, N-methyl-2-oxo- (6CI,9CI)

Database identifiers

CAS: 82634-76-2
PubChem CID: 20159720
DTXSID: DTXSID00603136

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 165

Physicochemical properties

Boiling point: 80 °C · 80 °C(Press: 0.09 Torr)
Density: 1.126 · 1.126±0.06 g/cm3(Predicted)
pka: 14.12 · 14.12±0.20(Predicted)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Hexanoic acid, 6-(methylamino)-6-oxo-, ethyl ester ethyl 6-chloro-6-oxohexanoate

Related reactions

1 records

New reaction record

HRID 247550As reactantuspto-grants-1987_11

Compound notes

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