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

C7H10O4 — CID 20674183

IUPAC2,3-dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one
SMILESCC(O)C1CC(=O)C(O)=C1O
InChIInChI=1S/C7H10O4/c1-3(8)4-2-5(9)7(11)6(4)10/h3-4,8,10-11H,2H2,1H3
InChIKeySOZCVBQEYKBOKH-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.28
Rot. Bonds1

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

2,3-dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one (PubChem CID 20674183) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2,3-dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one
PubChem CID20674183
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2,3-dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one
SMILESCC(O)C1CC(=O)C(O)=C1O
InChIInChI=1S/C7H10O4/c1-3(8)4-2-5(9)7(11)6(4)10/h3-4,8,10-11H,2H2,1H3
InChIKeySOZCVBQEYKBOKH-UHFFFAOYSA-N
XLogP0.28
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one?
The IUPAC name of 2,3-dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one (CID 20674183) is 2,3-dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2,3-dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one?
The canonical SMILES for 2,3-dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one is CC(O)C1CC(=O)C(O)=C1O.
What is the InChIKey of 2,3-dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one?
The InChIKey is SOZCVBQEYKBOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-3(8)4-2-5(9)7(11)6(4)10/h3-4,8,10-11H,2H2,1H3.
What are the key properties of 2,3-dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one?
2,3-dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one has a molecular weight of 158.15 g/mol, XLogP of 0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 20674183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).