6-methylbicyclo[3.1.0]hexan-3-one

C7H10O — CID 69065203

IUPAC6-methylbicyclo[3.1.0]hexan-3-one
SMILESCC1C2CC(=O)CC12
InChIInChI=1S/C7H10O/c1-4-6-2-5(8)3-7(4)6/h4,6-7H,2-3H2,1H3
InChIKeyIKOGZZYTRIDDHU-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.23
Rot. Bonds

About 6-methylbicyclo[3.1.0]hexan-3-one

6-methylbicyclo[3.1.0]hexan-3-one (PubChem CID 69065203) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 6-methylbicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name6-methylbicyclo[3.1.0]hexan-3-one
PubChem CID69065203
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name6-methylbicyclo[3.1.0]hexan-3-one
SMILESCC1C2CC(=O)CC12
InChIInChI=1S/C7H10O/c1-4-6-2-5(8)3-7(4)6/h4,6-7H,2-3H2,1H3
InChIKeyIKOGZZYTRIDDHU-UHFFFAOYSA-N
XLogP1.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methylbicyclo[3.1.0]hexan-3-one?
The IUPAC name of 6-methylbicyclo[3.1.0]hexan-3-one (CID 69065203) is 6-methylbicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for 6-methylbicyclo[3.1.0]hexan-3-one?
The canonical SMILES for 6-methylbicyclo[3.1.0]hexan-3-one is CC1C2CC(=O)CC12.
What is the InChIKey of 6-methylbicyclo[3.1.0]hexan-3-one?
The InChIKey is IKOGZZYTRIDDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-4-6-2-5(8)3-7(4)6/h4,6-7H,2-3H2,1H3.
What are the key properties of 6-methylbicyclo[3.1.0]hexan-3-one?
6-methylbicyclo[3.1.0]hexan-3-one has a molecular weight of 110.16 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 69065203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).