1-methylbicyclo[3.2.0]heptan-6-one

C8H12O — CID 12590014

IUPAC1-methylbicyclo[3.2.0]heptan-6-one
SMILESCC12CCCC1C(=O)C2
InChIInChI=1S/C8H12O/c1-8-4-2-3-6(8)7(9)5-8/h6H,2-5H2,1H3
InChIKeyDOJSZSVGTBFKNV-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.77
Rot. Bonds

About 1-methylbicyclo[3.2.0]heptan-6-one

1-methylbicyclo[3.2.0]heptan-6-one (PubChem CID 12590014) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-methylbicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name1-methylbicyclo[3.2.0]heptan-6-one
PubChem CID12590014
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-methylbicyclo[3.2.0]heptan-6-one
SMILESCC12CCCC1C(=O)C2
InChIInChI=1S/C8H12O/c1-8-4-2-3-6(8)7(9)5-8/h6H,2-5H2,1H3
InChIKeyDOJSZSVGTBFKNV-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylbicyclo[3.2.0]heptan-6-one?
The IUPAC name of 1-methylbicyclo[3.2.0]heptan-6-one (CID 12590014) is 1-methylbicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for 1-methylbicyclo[3.2.0]heptan-6-one?
The canonical SMILES for 1-methylbicyclo[3.2.0]heptan-6-one is CC12CCCC1C(=O)C2.
What is the InChIKey of 1-methylbicyclo[3.2.0]heptan-6-one?
The InChIKey is DOJSZSVGTBFKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-8-4-2-3-6(8)7(9)5-8/h6H,2-5H2,1H3.
What are the key properties of 1-methylbicyclo[3.2.0]heptan-6-one?
1-methylbicyclo[3.2.0]heptan-6-one has a molecular weight of 124.18 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 12590014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).