(+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one

C₇H₈OCAS 13173-09-6108.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈O
Molar mass: 108.14 g/mol
Exact mass: 108.0575 Da
logP: 1.15Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

13173-09-6

SMILES

C1C=CC2C1C(=O)C2

InChIKey

LNLLHUHPGPKRBM-UHFFFAOYSA-N

InChI

InChI=1S/C7H8O/c8-7-4-5-2-1-3-6(5)7/h1-2,5-6H,3-4H2

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Names and synonyms

1 names

Bicyclo(3.2.0)hept-2-en-6-one

Work with (+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one

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

(3Ar,6as)-3,3A,6,6A-tetrahydro-2H-cyclopenta[B]furan-2-one43119-28-441 % similar 7,7-Dichlorobicyclo[3.2.0]hept-2-en-6-one5307-99-335 % similar Rel-(1R,2S)-4-cyclohexene-1,2-dicarboxylic acid2305-26-234 % similar 1,2,3,6-Tetrahydrophthalic anhydride85-43-834 % similar Tetrahydrophthalic anhydride935-79-534 % similar 3-Methyltetrahydrophthalic anhydride5333-84-632 % similar

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

Same formula

Benzyl alcohol100-51-6 Anisole100-66-3 P-Cresol106-44-5 M-Cresol108-39-4 O-Cresol95-48-7

Elsewhere

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