bicyclo[2.2.0]hex-5-en-2-one

C6H6O — CID 139618189

IUPACbicyclo[2.2.0]hex-5-en-2-one
SMILESO=C1CC2C=CC12
InChIInChI=1S/C6H6O/c7-6-3-4-1-2-5(4)6/h1-2,4-5H,3H2
InChIKeyHTOMXHPRNPKENH-UHFFFAOYSA-N
MW94.11 g/mol
LogP0.76
Rot. Bonds

About bicyclo[2.2.0]hex-5-en-2-one

bicyclo[2.2.0]hex-5-en-2-one (PubChem CID 139618189) has the molecular formula C6H6O and a molecular weight of 94.11 g/mol. Its IUPAC name is bicyclo[2.2.0]hex-5-en-2-one.

Molecular Properties

Compound Namebicyclo[2.2.0]hex-5-en-2-one
PubChem CID139618189
Molecular FormulaC6H6O
Molecular Weight94.11 g/mol
Exact Mass94.04
IUPAC Namebicyclo[2.2.0]hex-5-en-2-one
SMILESO=C1CC2C=CC12
InChIInChI=1S/C6H6O/c7-6-3-4-1-2-5(4)6/h1-2,4-5H,3H2
InChIKeyHTOMXHPRNPKENH-UHFFFAOYSA-N
XLogP0.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.11
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one
CID 130037715
(1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
CID 11389554
7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 4179838
(1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 124553090
(1R,4S,7S,8S)-7,8-bis(phenylmethoxy)bicyclo[2.2.2]oct-5-en-2-one
CID 71376206
(1R,5S)-bicyclo[3.2.0]hept-3-en-6-one
CID 10986171
tricyclo[5.2.1.02,6]dec-8-en-4-one
CID 548712
bicyclo[2.1.0]pent-2-en-5-one
CID 71441751
bicyclo[4.2.0]oct-4-ene-2,7-dione
CID 130037819
(2S,4S,5S,8S,9R,11R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 132540584
(1S,2R,4S,5R,8S,9S,11S,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 11889790
tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione
CID 14893582

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hex-5-en-2-one?
The IUPAC name of bicyclo[2.2.0]hex-5-en-2-one (CID 139618189) is bicyclo[2.2.0]hex-5-en-2-one.
What is the SMILES notation for bicyclo[2.2.0]hex-5-en-2-one?
The canonical SMILES for bicyclo[2.2.0]hex-5-en-2-one is O=C1CC2C=CC12.
What is the InChIKey of bicyclo[2.2.0]hex-5-en-2-one?
The InChIKey is HTOMXHPRNPKENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O/c7-6-3-4-1-2-5(4)6/h1-2,4-5H,3H2.
What are the key properties of bicyclo[2.2.0]hex-5-en-2-one?
bicyclo[2.2.0]hex-5-en-2-one has a molecular weight of 94.11 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hex-5-en-2-one is sourced from PubChem (CID 139618189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).