[(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate

C12H15ClO3 — CID 10824116

IUPAC[(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate
SMILESCC(=O)OC/C(CCCCl)=C1\C=CC(=O)C1
InChIInChI=1S/C12H15ClO3/c1-9(14)16-8-11(3-2-6-13)10-4-5-12(15)7-10/h4-5H,2-3,6-8H2,1H3/b11-10+
InChIKeyIRIOXHAWGPPUOL-ZHACJKMWSA-N
MW242.70 g/mol
LogP2.39
Rot. Bonds5

About [(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate

[(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate (PubChem CID 10824116) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is [(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate.

Molecular Properties

Compound Name[(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate
PubChem CID10824116
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name[(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate
SMILESCC(=O)OC/C(CCCCl)=C1\C=CC(=O)C1
InChIInChI=1S/C12H15ClO3/c1-9(14)16-8-11(3-2-6-13)10-4-5-12(15)7-10/h4-5H,2-3,6-8H2,1H3/b11-10+
InChIKeyIRIOXHAWGPPUOL-ZHACJKMWSA-N
XLogP2.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(2-chlorocyclopenten-1-yl)prop-2-enoate
CID 15319182
2-(4-Oxocyclopent-2-en-1-ylidene)propyl acetate
CID 85157146
6-(3-Chloropropyl)-5-(3-oxobutyl)pyran-2-one
CID 164684037
ethyl (2E)-2-(2,3-dichloro-4-oxocyclopent-2-en-1-ylidene)acetate
CID 102288780
Ethyl 3-(2-chlorocyclopenten-1-yl)prop-2-enoate
CID 66873973
Propan-2-yl 4-chloro-6-ethenyl-5-ethylcyclohexa-1,5-diene-1-carboxylate
CID 123541259
[(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)propyl] acetate
CID 10487603
[(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)hex-5-enyl] acetate
CID 10513116
[(2Z)-2-(4-oxocyclopent-2-en-1-ylidene)pent-4-enyl] acetate
CID 10584399
[(2E)-2-(2-chloro-3,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)ethyl] acetate
CID 14643758
[(2Z)-2-(2-chloro-3,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)ethyl] acetate
CID 14643759
Methyl 3-(2-chloroacetyl)cyclopenta-1,3-diene-1-carboxylate
CID 158130105

Frequently Asked Questions

What is the IUPAC name of [(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate?
The IUPAC name of [(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate (CID 10824116) is [(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate.
What is the SMILES notation for [(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate?
The canonical SMILES for [(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate is CC(=O)OC/C(CCCCl)=C1\C=CC(=O)C1.
What is the InChIKey of [(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate?
The InChIKey is IRIOXHAWGPPUOL-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-9(14)16-8-11(3-2-6-13)10-4-5-12(15)7-10/h4-5H,2-3,6-8H2,1H3/b11-10+.
What are the key properties of [(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate?
[(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate has a molecular weight of 242.70 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-5-chloro-2-(4-oxocyclopent-2-en-1-ylidene)pentyl] acetate is sourced from PubChem (CID 10824116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).