2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one

C7H10O2 — CID 15768146

IUPAC2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one
SMILESCC1=C(CO)C(=O)CC1
InChIInChI=1S/C7H10O2/c1-5-2-3-7(9)6(5)4-8/h8H,2-4H2,1H3
InChIKeyVBOYONXEJMSAAT-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.66
Rot. Bonds1

About 2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one

2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one (PubChem CID 15768146) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one
PubChem CID15768146
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one
SMILESCC1=C(CO)C(=O)CC1
InChIInChI=1S/C7H10O2/c1-5-2-3-7(9)6(5)4-8/h8H,2-4H2,1H3
InChIKeyVBOYONXEJMSAAT-UHFFFAOYSA-N
XLogP0.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(hydroxymethyl)-3-methylcyclopent-2-en-1-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 2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one?
The IUPAC name of 2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one (CID 15768146) is 2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one is CC1=C(CO)C(=O)CC1.
What is the InChIKey of 2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one?
The InChIKey is VBOYONXEJMSAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-2-3-7(9)6(5)4-8/h8H,2-4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one?
2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 15768146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).