2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one

C8H12O5 — CID 23529086

IUPAC2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one
SMILESCOCC(O)C1CC(=O)C(O)=C1O
InChIInChI=1S/C8H12O5/c1-13-3-6(10)4-2-5(9)8(12)7(4)11/h4,6,10-12H,2-3H2,1H3
InChIKeyJNWZJZKPWYMTJC-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.09
Rot. Bonds3

About 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one

2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one (PubChem CID 23529086) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one
PubChem CID23529086
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one
SMILESCOCC(O)C1CC(=O)C(O)=C1O
InChIInChI=1S/C8H12O5/c1-13-3-6(10)4-2-5(9)8(12)7(4)11/h4,6,10-12H,2-3H2,1H3
InChIKeyJNWZJZKPWYMTJC-UHFFFAOYSA-N
XLogP-0.09
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-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 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one?
The IUPAC name of 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one (CID 23529086) is 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one?
The canonical SMILES for 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one is COCC(O)C1CC(=O)C(O)=C1O.
What is the InChIKey of 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one?
The InChIKey is JNWZJZKPWYMTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-13-3-6(10)4-2-5(9)8(12)7(4)11/h4,6,10-12H,2-3H2,1H3.
What are the key properties of 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one?
2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one has a molecular weight of 188.18 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 23529086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).