5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one

C10H14O — CID 14062851

IUPAC5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one
SMILESC=CC12CCC(C)C1CC2=O
InChIInChI=1S/C10H14O/c1-3-10-5-4-7(2)8(10)6-9(10)11/h3,7-8H,1,4-6H2,2H3
InChIKeyMLRZWPBHTXEWPB-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds1

About 5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one

5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one (PubChem CID 14062851) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one
PubChem CID14062851
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one
SMILESC=CC12CCC(C)C1CC2=O
InChIInChI=1S/C10H14O/c1-3-10-5-4-7(2)8(10)6-9(10)11/h3,7-8H,1,4-6H2,2H3
InChIKeyMLRZWPBHTXEWPB-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.18
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

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CID 67025761
(1S,4R,5S,9R)-4-methyl-7-methylidenetricyclo[7.2.1.01,5]dodecan-12-one
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CID 102595376
(1S,4R)-1-ethenyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 11084219
2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one
CID 130028580
(2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one
CID 10262981
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CID 141070744
1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one
CID 14706860
(8R,9S,10R,13R,14S)-13-ethenyl-10-methyl-16-methylidene-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione
CID 66886606
(4aR,4bS,7S,8aS,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-9-one
CID 102214641
(2S,3R,5S,8R,10R,13S)-2,3,13-trimethyl-5-prop-2-enyl-1,2,3,4,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 155359271

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one?
The IUPAC name of 5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one (CID 14062851) is 5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for 5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one?
The canonical SMILES for 5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one is C=CC12CCC(C)C1CC2=O.
What is the InChIKey of 5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one?
The InChIKey is MLRZWPBHTXEWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-10-5-4-7(2)8(10)6-9(10)11/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one?
5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one has a molecular weight of 150.22 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 14062851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).