bicyclo[3.2.0]heptan-2-one

C7H10O — CID 543759

IUPACbicyclo[3.2.0]heptan-2-one
SMILESO=C1CCC2CCC12
InChIInChI=1S/C7H10O/c8-7-4-2-5-1-3-6(5)7/h5-6H,1-4H2
InChIKeyLNJNDNOHSVRMLG-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.38
Rot. Bonds

About bicyclo[3.2.0]heptan-2-one

bicyclo[3.2.0]heptan-2-one (PubChem CID 543759) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is bicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Namebicyclo[3.2.0]heptan-2-one
PubChem CID543759
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Namebicyclo[3.2.0]heptan-2-one
SMILESO=C1CCC2CCC12
InChIInChI=1S/C7H10O/c8-7-4-2-5-1-3-6(5)7/h5-6H,1-4H2
InChIKeyLNJNDNOHSVRMLG-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.2.0]heptan-2-one?
The IUPAC name of bicyclo[3.2.0]heptan-2-one (CID 543759) is bicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for bicyclo[3.2.0]heptan-2-one?
The canonical SMILES for bicyclo[3.2.0]heptan-2-one is O=C1CCC2CCC12.
What is the InChIKey of bicyclo[3.2.0]heptan-2-one?
The InChIKey is LNJNDNOHSVRMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c8-7-4-2-5-1-3-6(5)7/h5-6H,1-4H2.
What are the key properties of bicyclo[3.2.0]heptan-2-one?
bicyclo[3.2.0]heptan-2-one has a molecular weight of 110.16 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 543759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).