(1R,5S)-bicyclo[3.2.0]hept-3-en-6-one

C7H8O — CID 10986171

IUPAC(1R,5S)-bicyclo[3.2.0]hept-3-en-6-one
SMILESO=C1C[C@H]2CC=C[C@@H]12
InChIInChI=1S/C7H8O/c8-7-4-5-2-1-3-6(5)7/h1,3,5-6H,2,4H2/t5-,6-/m1/s1
InChIKeyXBOYRBXLERDCAM-PHDIDXHHSA-N
MW108.14 g/mol
LogP1.15
Rot. Bonds

About (1R,5S)-bicyclo[3.2.0]hept-3-en-6-one

(1R,5S)-bicyclo[3.2.0]hept-3-en-6-one (PubChem CID 10986171) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is (1R,5S)-bicyclo[3.2.0]hept-3-en-6-one.

Molecular Properties

Compound Name(1R,5S)-bicyclo[3.2.0]hept-3-en-6-one
PubChem CID10986171
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name(1R,5S)-bicyclo[3.2.0]hept-3-en-6-one
SMILESO=C1C[C@H]2CC=C[C@@H]12
InChIInChI=1S/C7H8O/c8-7-4-5-2-1-3-6(5)7/h1,3,5-6H,2,4H2/t5-,6-/m1/s1
InChIKeyXBOYRBXLERDCAM-PHDIDXHHSA-N
XLogP1.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,5S)-bicyclo[3.2.0]hept-3-en-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
CID 68617991
bicyclo[4.2.0]oct-4-ene-2,7-dione
CID 130037819
(3aS,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-one
CID 11029897
(1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
CID 11389554
(3aR,6aS)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
CID 11400761
bicyclo[2.2.0]hex-5-en-2-one
CID 139618189
3,3a,4,6a-tetrahydropentalene-1-carbaldehyde
CID 12861313
tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one
CID 130037715
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-4-nitroaniline
CID 7458644
N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)pentanediamide
CID 4155511
2-cyclopent-3-en-1-ylcyclopentan-1-one
CID 130031088
(3aR,6aS)-6,6a-dihydro-3aH-cyclopenta[c]furan-1,3-dione
CID 102109216

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-bicyclo[3.2.0]hept-3-en-6-one?
The IUPAC name of (1R,5S)-bicyclo[3.2.0]hept-3-en-6-one (CID 10986171) is (1R,5S)-bicyclo[3.2.0]hept-3-en-6-one.
What is the SMILES notation for (1R,5S)-bicyclo[3.2.0]hept-3-en-6-one?
The canonical SMILES for (1R,5S)-bicyclo[3.2.0]hept-3-en-6-one is O=C1C[C@H]2CC=C[C@@H]12.
What is the InChIKey of (1R,5S)-bicyclo[3.2.0]hept-3-en-6-one?
The InChIKey is XBOYRBXLERDCAM-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H8O/c8-7-4-5-2-1-3-6(5)7/h1,3,5-6H,2,4H2/t5-,6-/m1/s1.
What are the key properties of (1R,5S)-bicyclo[3.2.0]hept-3-en-6-one?
(1R,5S)-bicyclo[3.2.0]hept-3-en-6-one has a molecular weight of 108.14 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-bicyclo[3.2.0]hept-3-en-6-one is sourced from PubChem (CID 10986171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).