chempirical

2-Acetylcyclopentanone

C7H10O2CAS 1670-46-8126.16 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C7H10O2
Molar mass
126.16 g/mol
Exact mass
126.0681 Da
Melting point
60–70 °C
Boiling point
75 °C (at 8 Torr)
logP
0.94Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 130 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
1670-46-8
SMILES
CC(=O)C1CCCC1=O
InChIKey
OSWDNIFICGLKEE-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O2/c1-5(8)6-3-2-4-7(6)9/h6H,2-4H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Cyclopentanone, 2-acetyl-
  • α-Acetylcyclopentanone
  • 2-Acetyl-1-cyclopentanone
  • NSC 141181

Work with 2-Acetylcyclopentanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Acetylcyclohexanone874-23-788 % similar Methyl 2-oxocyclopentanecarboxylate10472-24-952 % similar Ethyl 2-oxocyclopentanecarboxylate611-10-948 % similar 2-Acetyl-1,3-cyclopentanedione3859-39-048 % similar 2-Methylcyclopentanone1120-72-546 % similar Methyl 2-cyclohexanonecarboxylate41302-34-545 % similar 3-Ethylpentane-2,4-dione1540-34-744 % similar Cyclopentyl methyl ketone6004-60-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methyl-1,3-cyclohexanedione1193-55-1 Cycloheptane-1,3-dione1194-18-9 3,4-Dimethyl 1,2-cyclopentandione13494-06-9 3,5-Dimethyl-1,2-cyclopentanedione13494-07-0 tert-Butyl propiolate13831-03-3 Methyl 2,4-hexadienoate1515-80-6 Methyl 3-methylenecyclobutanecarboxylate15963-40-3 2-Propen-1-yl 2-butenoate20474-93-5

Elsewhere

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