4-methylbicyclo[3.2.0]heptan-6-one

C8H12O — CID 10909567

IUPAC4-methylbicyclo[3.2.0]heptan-6-one
SMILESCC1CCC2CC(=O)C12
InChIInChI=1S/C8H12O/c1-5-2-3-6-4-7(9)8(5)6/h5-6,8H,2-4H2,1H3
InChIKeyYGBQCMRORCSNGP-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.62
Rot. Bonds

About 4-methylbicyclo[3.2.0]heptan-6-one

4-methylbicyclo[3.2.0]heptan-6-one (PubChem CID 10909567) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 4-methylbicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name4-methylbicyclo[3.2.0]heptan-6-one
PubChem CID10909567
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name4-methylbicyclo[3.2.0]heptan-6-one
SMILESCC1CCC2CC(=O)C12
InChIInChI=1S/C8H12O/c1-5-2-3-6-4-7(9)8(5)6/h5-6,8H,2-4H2,1H3
InChIKeyYGBQCMRORCSNGP-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylbicyclo[3.2.0]heptan-6-one?
The IUPAC name of 4-methylbicyclo[3.2.0]heptan-6-one (CID 10909567) is 4-methylbicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for 4-methylbicyclo[3.2.0]heptan-6-one?
The canonical SMILES for 4-methylbicyclo[3.2.0]heptan-6-one is CC1CCC2CC(=O)C12.
What is the InChIKey of 4-methylbicyclo[3.2.0]heptan-6-one?
The InChIKey is YGBQCMRORCSNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-5-2-3-6-4-7(9)8(5)6/h5-6,8H,2-4H2,1H3.
What are the key properties of 4-methylbicyclo[3.2.0]heptan-6-one?
4-methylbicyclo[3.2.0]heptan-6-one has a molecular weight of 124.18 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 10909567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).