[(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate

C12H14O3 — CID 10584399

IUPAC[(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate
SMILESC=CC/C(COC(C)=O)=C1/C=CC(=O)C1
InChIInChI=1S/C12H14O3/c1-3-4-11(8-15-9(2)13)10-5-6-12(14)7-10/h3,5-6H,1,4,7-8H2,2H3/b11-10+
InChIKeySFSDFEHJEZXOQU-ZHACJKMWSA-N
MW206.24 g/mol
LogP1.95
Rot. Bonds4

About [(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate

[(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate (PubChem CID 10584399) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate.

Molecular Properties

Compound Name[(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate
PubChem CID10584399
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate
SMILESC=CC/C(COC(C)=O)=C1/C=CC(=O)C1
InChIInChI=1S/C12H14O3/c1-3-4-11(8-15-9(2)13)10-5-6-12(14)7-10/h3,5-6H,1,4,7-8H2,2H3/b11-10+
InChIKeySFSDFEHJEZXOQU-ZHACJKMWSA-N
XLogP1.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Taraxacin
CID 5241825
(5-oxocyclopenten-1-yl)methyl (E)-but-2-enoate
CID 10397387
T39Butenolide
CID 76322782
methyl (E)-3-(3-oxocyclopenten-1-yl)prop-2-enoate
CID 131243397
Bombardolide D
CID 10375070
3-methyl-4-[(1E,3E,5E)-6-methyl-7-oxoocta-1,3,5-trienyl]furan-2,5-dione
CID 6443518
Berkedienolactone
CID 57379199
Ethyl cyclohexa-1,3-diene-1-carboxylate
CID 11094816
Diethyl 7-oxo-1,3,5-cycloheptatriene-1,3-dicarboxylate
CID 363077
(2E,4E)-5,9-dimethyl-deca-2,4,8-trienoic acid ethyl ester
CID 6272530
4-Oxocyclopent-2-en-1-yl acetate
CID 343117
4-[(Z)-hex-1-enyl]-2-methyl-2H-furan-5-one
CID 67201435

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate?
The IUPAC name of [(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate (CID 10584399) is [(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate.
What is the SMILES notation for [(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate?
The canonical SMILES for [(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate is C=CC/C(COC(C)=O)=C1/C=CC(=O)C1.
What is the InChIKey of [(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate?
The InChIKey is SFSDFEHJEZXOQU-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-4-11(8-15-9(2)13)10-5-6-12(14)7-10/h3,5-6H,1,4,7-8H2,2H3/b11-10+.
What are the key properties of [(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate?
[(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate has a molecular weight of 206.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate is sourced from PubChem (CID 10584399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).