2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate

C10H12O3 — CID 85157146

IUPAC2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate
SMILESCC(=O)OCC(C)=C1C=CC(=O)C1
InChIInChI=1S/C10H12O3/c1-7(6-13-8(2)11)9-3-4-10(12)5-9/h3-4H,5-6H2,1-2H3
InChIKeyZBYGMMDWJJTDHN-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.39
Rot. Bonds2

About 2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate

2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate (PubChem CID 85157146) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate.

Molecular Properties

Compound Name2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate
PubChem CID85157146
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate
SMILESCC(=O)OCC(C)=C1C=CC(=O)C1
InChIInChI=1S/C10H12O3/c1-7(6-13-8(2)11)9-3-4-10(12)5-9/h3-4H,5-6H2,1-2H3
InChIKeyZBYGMMDWJJTDHN-UHFFFAOYSA-N
XLogP1.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

T39Butenolide
CID 76322782
methyl (E)-3-(3-oxocyclopenten-1-yl)prop-2-enoate
CID 131243397
3-methyl-4-[(1E,3E,5E)-6-methyl-7-oxoocta-1,3,5-trienyl]furan-2,5-dione
CID 6443518
Ethyl cyclohexa-1,3-diene-1-carboxylate
CID 11094816
(2E,4E)-5,9-dimethyl-deca-2,4,8-trienoic acid ethyl ester
CID 6272530
4-[(Z)-hex-1-enyl]-2-methyl-2H-furan-5-one
CID 67201435
(5R)-5-(1E)-1,3-Butadien-1-yl-3-(1E)-1-propen-1-yl-2(5H)-furanone
CID 10965058
5,9-Dimethyl-deca-2,4,8-trienoic acid ethyl ester
CID 5380951
mollisolactone A
CID 54421891
ethyl (E)-4-cyclopropyl-4-oxobut-2-enoate
CID 155555215
3-Methyl-4-(6-methyl-7-oxoocta-1,3,5-trienyl)furan-2,5-dione
CID 190912
[(2E)-3,7-dimethyl-4-oxoocta-2,6-dienyl] acetate
CID 15139932

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate?
The IUPAC name of 2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate (CID 85157146) is 2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate.
What is the SMILES notation for 2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate?
The canonical SMILES for 2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate is CC(=O)OCC(C)=C1C=CC(=O)C1.
What is the InChIKey of 2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate?
The InChIKey is ZBYGMMDWJJTDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(6-13-8(2)11)9-3-4-10(12)5-9/h3-4H,5-6H2,1-2H3.
What are the key properties of 2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate?
2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate has a molecular weight of 180.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxocyclopent-2-en-1-ylidene)propyl acetate is sourced from PubChem (CID 85157146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).