[(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate

C10H12O3 — CID 139646465

IUPAC[(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate
SMILESC=CCC1=C[C@H](OC(C)=O)CC1=O
InChIInChI=1S/C10H12O3/c1-3-4-8-5-9(6-10(8)12)13-7(2)11/h3,5,9H,1,4,6H2,2H3/t9-/m0/s1
InChIKeyAODJPPDHXZYRQA-VIFPVBQESA-N
MW180.20 g/mol
LogP1.39
Rot. Bonds3

About [(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate

[(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate (PubChem CID 139646465) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is [(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate
PubChem CID139646465
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name[(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate
SMILESC=CCC1=C[C@H](OC(C)=O)CC1=O
InChIInChI=1S/C10H12O3/c1-3-4-8-5-9(6-10(8)12)13-7(2)11/h3,5,9H,1,4,6H2,2H3/t9-/m0/s1
InChIKeyAODJPPDHXZYRQA-VIFPVBQESA-N
XLogP1.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate 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

(4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one
CID 13037858
[(Z)-7-[(3R)-3-acetyloxy-5-oxocyclopenten-1-yl]-6-bromohept-5-enyl] acetate
CID 170317056
[7-(3-acetyloxy-5-oxocyclopenten-1-yl)-6-bromohept-5-enyl] acetate
CID 170317059
4-(oxan-2-yloxy)-2-prop-2-enylcyclopent-2-en-1-one
CID 21057330
[(1R)-3-(3-bromo-2-prop-2-enoxyphenyl)-4-oxocyclopent-2-en-1-yl] acetate
CID 11783094
[(Z)-6-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]hex-4-enyl] trimethylsilylformate
CID 70573057
[(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate
CID 101115559
methyl 7-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)hept-5-enoate
CID 70700519
[(1S,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl] acetate
CID 10511585
but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate
CID 10800127
[(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate
CID 70589487
(3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate
CID 142487361

Frequently Asked Questions

What is the IUPAC name of [(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate (CID 139646465) is [(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate is C=CCC1=C[C@H](OC(C)=O)CC1=O.
What is the InChIKey of [(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate?
The InChIKey is AODJPPDHXZYRQA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12O3/c1-3-4-8-5-9(6-10(8)12)13-7(2)11/h3,5,9H,1,4,6H2,2H3/t9-/m0/s1.
What are the key properties of [(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate?
[(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate has a molecular weight of 180.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 139646465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).