3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol

C7H12O3 — CID 130129778

IUPAC3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol
SMILESCC(O)C1=CCC(O)C1O
InChIInChI=1S/C7H12O3/c1-4(8)5-2-3-6(9)7(5)10/h2,4,6-10H,3H2,1H3
InChIKeyAJOWYYQWYSRRBB-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.58
Rot. Bonds1

About 3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol

3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol (PubChem CID 130129778) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol.

Molecular Properties

Compound Name3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol
PubChem CID130129778
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol
SMILESCC(O)C1=CCC(O)C1O
InChIInChI=1S/C7H12O3/c1-4(8)5-2-3-6(9)7(5)10/h2,4,6-10H,3H2,1H3
InChIKeyAJOWYYQWYSRRBB-UHFFFAOYSA-N
XLogP-0.58
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol
CID 23726589
(1R,5R)-5-methyl-2-propan-2-ylcyclohex-2-en-1-ol
CID 11116276
1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol
CID 14250322
3-(1-hydroxyethyl)-2-methyl-2,5-dihydropyran-6-one
CID 74109572
4-(2-hydroxypropyl)cyclohex-3-en-1-ol
CID 85404808
(3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
CID 11722599
(3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
CID 20839162
1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol
CID 23223031
4,6-dichloro-1-propan-2-ylcyclohexene
CID 129040890
1,2-bis(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethane-1,2-diol
CID 573227
1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol
CID 145005841
5-hydroxy-4-propan-2-yl-2,5-dihydro-1H-pyridin-6-one
CID 146248406

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol?
The IUPAC name of 3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol (CID 130129778) is 3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol.
What is the SMILES notation for 3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol?
The canonical SMILES for 3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol is CC(O)C1=CCC(O)C1O.
What is the InChIKey of 3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol?
The InChIKey is AJOWYYQWYSRRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4(8)5-2-3-6(9)7(5)10/h2,4,6-10H,3H2,1H3.
What are the key properties of 3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol?
3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol has a molecular weight of 144.17 g/mol, XLogP of -0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol is sourced from PubChem (CID 130129778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).