3-hydroxy-2-methoxycyclopent-2-en-1-one

C6H8O3 — CID 119098126

IUPAC3-hydroxy-2-methoxycyclopent-2-en-1-one
SMILESCOC1=C(O)CCC1=O
InChIInChI=1S/C6H8O3/c1-9-6-4(7)2-3-5(6)8/h7H,2-3H2,1H3
InChIKeyCLPOZJWLQFZEKZ-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.77
Rot. Bonds1

About 3-hydroxy-2-methoxycyclopent-2-en-1-one

3-hydroxy-2-methoxycyclopent-2-en-1-one (PubChem CID 119098126) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-hydroxy-2-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methoxycyclopent-2-en-1-one
PubChem CID119098126
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name3-hydroxy-2-methoxycyclopent-2-en-1-one
SMILESCOC1=C(O)CCC1=O
InChIInChI=1S/C6H8O3/c1-9-6-4(7)2-3-5(6)8/h7H,2-3H2,1H3
InChIKeyCLPOZJWLQFZEKZ-UHFFFAOYSA-N
XLogP0.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-2-methoxycyclopent-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-hydroxy-2-methoxycyclopent-2-en-1-one?
The IUPAC name of 3-hydroxy-2-methoxycyclopent-2-en-1-one (CID 119098126) is 3-hydroxy-2-methoxycyclopent-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-methoxycyclopent-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-methoxycyclopent-2-en-1-one is COC1=C(O)CCC1=O.
What is the InChIKey of 3-hydroxy-2-methoxycyclopent-2-en-1-one?
The InChIKey is CLPOZJWLQFZEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-9-6-4(7)2-3-5(6)8/h7H,2-3H2,1H3.
What are the key properties of 3-hydroxy-2-methoxycyclopent-2-en-1-one?
3-hydroxy-2-methoxycyclopent-2-en-1-one has a molecular weight of 128.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 119098126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).