3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one

C8H12O2 — CID 5367757

IUPAC3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one
SMILESO=C1CCC(/C=C/CO)C1
InChIInChI=1S/C8H12O2/c9-5-1-2-7-3-4-8(10)6-7/h1-2,7,9H,3-6H2/b2-1+
InChIKeyFPURUUMFIGYKTG-OWOJBTEDSA-N
MW140.18 g/mol
LogP0.90
Rot. Bonds2

About 3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one

3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one (PubChem CID 5367757) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one
PubChem CID5367757
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one
SMILESO=C1CCC(/C=C/CO)C1
InChIInChI=1S/C8H12O2/c9-5-1-2-7-3-4-8(10)6-7/h1-2,7,9H,3-6H2/b2-1+
InChIKeyFPURUUMFIGYKTG-OWOJBTEDSA-N
XLogP0.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-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

Related Compounds

3-(3-Hydroxy-1-propenyl)cyclopentanone
CID 557928
(E)-8-hydroxy-4,4-dimethyloct-6-en-2-one
CID 162414214
(4R,10E)-12-hydroxy-4-methyldodeca-1,10-dien-6-one
CID 162415098
(9R,10E)-12-hydroxy-9-methyldodeca-1,10-dien-6-one
CID 162415099
1-(4-Hydroxycyclopent-2-en-1-yl)ethanone
CID 15761041
3-(3-Hydroxyoct-1-enyl)cyclopentan-1-one
CID 53722711
3-(5-Hydroxypent-1-enyl)cyclopentan-1-one
CID 53784154
4-(4-Hydroxybut-2-enyl)-2-methylcyclopent-2-en-1-one
CID 56634078
3-[(Z)-3-hydroxyoct-1-enyl]cyclopentan-1-one
CID 70378601
4-(3-Hydroxyprop-1-enyl)cyclohex-2-en-1-one
CID 91612193
2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one
CID 131237601
2-(4-Hydroxypent-2-enyl)cyclopentan-1-one
CID 153676566

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one?
The IUPAC name of 3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one (CID 5367757) is 3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one.
What is the SMILES notation for 3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one?
The canonical SMILES for 3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one is O=C1CCC(/C=C/CO)C1.
What is the InChIKey of 3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one?
The InChIKey is FPURUUMFIGYKTG-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H12O2/c9-5-1-2-7-3-4-8(10)6-7/h1-2,7,9H,3-6H2/b2-1+.
What are the key properties of 3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one?
3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one has a molecular weight of 140.18 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-hydroxyprop-1-enyl]cyclopentan-1-one is sourced from PubChem (CID 5367757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).