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

C7H10O2 — CID 25020798

IUPAC3-(hydroxymethyl)-2-methylcyclopent-2-en-1-one
SMILESCC1=C(CO)CCC1=O
InChIInChI=1S/C7H10O2/c1-5-6(4-8)2-3-7(5)9/h8H,2-4H2,1H3
InChIKeyFBIXBRQYYLPOOM-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.66
Rot. Bonds1

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

3-(hydroxymethyl)-2-methylcyclopent-2-en-1-one (PubChem CID 25020798) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-2-methylcyclopent-2-en-1-one
PubChem CID25020798
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name3-(hydroxymethyl)-2-methylcyclopent-2-en-1-one
SMILESCC1=C(CO)CCC1=O
InChIInChI=1S/C7H10O2/c1-5-6(4-8)2-3-7(5)9/h8H,2-4H2,1H3
InChIKeyFBIXBRQYYLPOOM-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 3-(hydroxymethyl)-2-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 3-(hydroxymethyl)-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-(hydroxymethyl)-2-methylcyclopent-2-en-1-one (CID 25020798) is 3-(hydroxymethyl)-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-(hydroxymethyl)-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-(hydroxymethyl)-2-methylcyclopent-2-en-1-one is CC1=C(CO)CCC1=O.
What is the InChIKey of 3-(hydroxymethyl)-2-methylcyclopent-2-en-1-one?
The InChIKey is FBIXBRQYYLPOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-6(4-8)2-3-7(5)9/h8H,2-4H2,1H3.
What are the key properties of 3-(hydroxymethyl)-2-methylcyclopent-2-en-1-one?
3-(hydroxymethyl)-2-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 3-(hydroxymethyl)-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 25020798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).