ethyl 1-phenylcyclopent-2-ene-1-carboxylate

C14H16O2 — CID 10420867

IUPACethyl 1-phenylcyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)C=CCC1
InChIInChI=1S/C14H16O2/c1-2-16-13(15)14(10-6-7-11-14)12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3
InChIKeyKZIBENKORAFPLZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.84
Rot. Bonds3

About ethyl 1-phenylcyclopent-2-ene-1-carboxylate

ethyl 1-phenylcyclopent-2-ene-1-carboxylate (PubChem CID 10420867) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 1-phenylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenylcyclopent-2-ene-1-carboxylate
PubChem CID10420867
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nameethyl 1-phenylcyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)C=CCC1
InChIInChI=1S/C14H16O2/c1-2-16-13(15)14(10-6-7-11-14)12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3
InChIKeyKZIBENKORAFPLZ-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenylcyclopent-2-ene-1-carboxylate?
The IUPAC name of ethyl 1-phenylcyclopent-2-ene-1-carboxylate (CID 10420867) is ethyl 1-phenylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-phenylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethyl 1-phenylcyclopent-2-ene-1-carboxylate is CCOC(=O)C1(c2ccccc2)C=CCC1.
What is the InChIKey of ethyl 1-phenylcyclopent-2-ene-1-carboxylate?
The InChIKey is KZIBENKORAFPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-16-13(15)14(10-6-7-11-14)12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3.
What are the key properties of ethyl 1-phenylcyclopent-2-ene-1-carboxylate?
ethyl 1-phenylcyclopent-2-ene-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 10420867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).