ethyl 2-cyclopent-2-en-1-ylacetate

C9H14O2 — CID 10877336

IUPACethyl 2-cyclopent-2-en-1-ylacetate
SMILESCCOC(=O)CC1C=CCC1
InChIInChI=1S/C9H14O2/c1-2-11-9(10)7-8-5-3-4-6-8/h3,5,8H,2,4,6-7H2,1H3
InChIKeyUEPHOITVJAVVRX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds3

About ethyl 2-cyclopent-2-en-1-ylacetate

ethyl 2-cyclopent-2-en-1-ylacetate (PubChem CID 10877336) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethyl 2-cyclopent-2-en-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-cyclopent-2-en-1-ylacetate
PubChem CID10877336
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethyl 2-cyclopent-2-en-1-ylacetate
SMILESCCOC(=O)CC1C=CCC1
InChIInChI=1S/C9H14O2/c1-2-11-9(10)7-8-5-3-4-6-8/h3,5,8H,2,4,6-7H2,1H3
InChIKeyUEPHOITVJAVVRX-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethyl 2-cyclopent-2-en-1-ylacetate?
The IUPAC name of ethyl 2-cyclopent-2-en-1-ylacetate (CID 10877336) is ethyl 2-cyclopent-2-en-1-ylacetate.
What is the SMILES notation for ethyl 2-cyclopent-2-en-1-ylacetate?
The canonical SMILES for ethyl 2-cyclopent-2-en-1-ylacetate is CCOC(=O)CC1C=CCC1.
What is the InChIKey of ethyl 2-cyclopent-2-en-1-ylacetate?
The InChIKey is UEPHOITVJAVVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-11-9(10)7-8-5-3-4-6-8/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of ethyl 2-cyclopent-2-en-1-ylacetate?
ethyl 2-cyclopent-2-en-1-ylacetate has a molecular weight of 154.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopent-2-en-1-ylacetate is sourced from PubChem (CID 10877336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).