2-Acetyl-1,3-cyclopentanedione

C7H8O3CAS 3859-39-0140.14 g/mol

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OOO
Ketone

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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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Names and synonyms

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

Reactions

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-Acetyldimedone1755-15-358 % similar 2-Acetylcyclopentanone1670-46-848 % similar 2-Acetylcyclohexanone874-23-746 % similar Cyclopropyl methyl ketone765-43-543 % similar 2-Methyl-1,3-cyclopentanedione765-69-543 % similar Diethyl acetylmalonate570-08-141 % similar Ethyl diacetylacetate603-69-041 % similar Methyl 2-acetyl-3-oxobutanoate4619-66-341 % 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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