[2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate

C12H18O3 — CID 138740279

IUPAC[2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate
SMILESCC/C=C\CC1(OC(C)=O)CCCC1=O
InChIInChI=1S/C12H18O3/c1-3-4-5-8-12(15-10(2)13)9-6-7-11(12)14/h4-5H,3,6-9H2,1-2H3/b5-4-
InChIKeyZKRSRAMPLHOQKK-PLNGDYQASA-N
MW210.27 g/mol
LogP2.40
Rot. Bonds4

About [2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate

[2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate (PubChem CID 138740279) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is [2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate.

Molecular Properties

Compound Name[2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate
PubChem CID138740279
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name[2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate
SMILESCC/C=C\CC1(OC(C)=O)CCCC1=O
InChIInChI=1S/C12H18O3/c1-3-4-5-8-12(15-10(2)13)9-6-7-11(12)14/h4-5H,3,6-9H2,1-2H3/b5-4-
InChIKeyZKRSRAMPLHOQKK-PLNGDYQASA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate?
The IUPAC name of [2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate (CID 138740279) is [2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate.
What is the SMILES notation for [2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate?
The canonical SMILES for [2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate is CC/C=C\CC1(OC(C)=O)CCCC1=O.
What is the InChIKey of [2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate?
The InChIKey is ZKRSRAMPLHOQKK-PLNGDYQASA-N. The full InChI is InChI=1S/C12H18O3/c1-3-4-5-8-12(15-10(2)13)9-6-7-11(12)14/h4-5H,3,6-9H2,1-2H3/b5-4-.
What are the key properties of [2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate?
[2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate has a molecular weight of 210.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-[(Z)-pent-2-enyl]cyclopentyl] acetate is sourced from PubChem (CID 138740279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).