7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one

C8H12O2 — CID 14488388

IUPAC7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2CCC1C2CO
InChIInChI=1S/C8H12O2/c9-4-7-5-1-2-6(7)8(10)3-5/h5-7,9H,1-4H2
InChIKeyJZKKKQPDXIRDBG-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.59
Rot. Bonds1

About 7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one

7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 14488388) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one
PubChem CID14488388
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2CCC1C2CO
InChIInChI=1S/C8H12O2/c9-4-7-5-1-2-6(7)8(10)3-5/h5-7,9H,1-4H2
InChIKeyJZKKKQPDXIRDBG-UHFFFAOYSA-N
XLogP0.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one (CID 14488388) is 7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one is O=C1CC2CCC1C2CO.
What is the InChIKey of 7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is JZKKKQPDXIRDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-4-7-5-1-2-6(7)8(10)3-5/h5-7,9H,1-4H2.
What are the key properties of 7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one?
7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 140.18 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 14488388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).