cyclobutyl cyclopent-3-ene-1-carboxylate

C10H14O2 — CID 130979385

IUPACcyclobutyl cyclopent-3-ene-1-carboxylate
SMILESO=C(OC1CCC1)C1CC=CC1
InChIInChI=1S/C10H14O2/c11-10(8-4-1-2-5-8)12-9-6-3-7-9/h1-2,8-9H,3-7H2
InChIKeyUSPLLGGWUVQOHD-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.05
Rot. Bonds2

About cyclobutyl cyclopent-3-ene-1-carboxylate

cyclobutyl cyclopent-3-ene-1-carboxylate (PubChem CID 130979385) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is cyclobutyl cyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Namecyclobutyl cyclopent-3-ene-1-carboxylate
PubChem CID130979385
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namecyclobutyl cyclopent-3-ene-1-carboxylate
SMILESO=C(OC1CCC1)C1CC=CC1
InChIInChI=1S/C10H14O2/c11-10(8-4-1-2-5-8)12-9-6-3-7-9/h1-2,8-9H,3-7H2
InChIKeyUSPLLGGWUVQOHD-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.05
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 cyclobutyl cyclopent-3-ene-1-carboxylate?
The IUPAC name of cyclobutyl cyclopent-3-ene-1-carboxylate (CID 130979385) is cyclobutyl cyclopent-3-ene-1-carboxylate.
What is the SMILES notation for cyclobutyl cyclopent-3-ene-1-carboxylate?
The canonical SMILES for cyclobutyl cyclopent-3-ene-1-carboxylate is O=C(OC1CCC1)C1CC=CC1.
What is the InChIKey of cyclobutyl cyclopent-3-ene-1-carboxylate?
The InChIKey is USPLLGGWUVQOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-10(8-4-1-2-5-8)12-9-6-3-7-9/h1-2,8-9H,3-7H2.
What are the key properties of cyclobutyl cyclopent-3-ene-1-carboxylate?
cyclobutyl cyclopent-3-ene-1-carboxylate has a molecular weight of 166.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl cyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 130979385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).