2-Acetyl-1,3-cyclopentanedione

C₇H₈O₃CAS 3859-39-0140.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈O₃
Molar mass: 140.14 g/mol
Exact mass: 140.0473 Da
logP: 0.12Crippen estimate
Polar surface area: 51.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

3859-39-0

SMILES

CC(=O)C1C(=O)CCC1=O

InChIKey

WYBUYWCJZMQESH-UHFFFAOYSA-N

InChI

InChI=1S/C7H8O3/c1-4(8)7-5(9)2-3-6(7)10/h7H,2-3H2,1H3

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

Names and synonyms

2 names

2-Acetylcyclopentane-1,3-dione
1,3-Cyclopentanedione, 2-acetyl-

Work with 2-Acetyl-1,3-cyclopentanedione

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-Acetylcyclopentanone1670-46-848 % similar 2-Acetylcyclohexanone874-23-746 % similar Methyl 2-acetyl-3-oxobutanoate4619-66-341 % similar 3-Ethyl-2,4-pentanedione1540-34-740 % similar 2-Ethyl-1,3-cyclopentanedione823-36-940 % similar 3-Methyl-2,4-pentanedione815-57-639 % similar 3-Chloro-2,4-pentanedione1694-29-738 % similar 1,1-Difluoro-2-propanone431-05-038 % similar

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

Same formula

Ethyl 2-furoate1335-40-6 5-Methoxyresorcinol2174-64-3 Methyl 5-methyl-2-furancarboxylate2527-96-0 3,5-Dihydroxybenzyl alcohol29654-55-5 Rel-(3ar,6as)-tetrahydro-1H-cyclopenta[C]furan-1,3(3ah)-dione35878-28-5 3,4-Dihydroxybenzyl alcohol3897-89-0 Ethyl maltol4940-11-8 Methyl 3-methyl-2-furancarboxylate6141-57-7

Elsewhere

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