prop-1-enyl cyclopentanecarboxylate

C9H14O2 — CID 175317962

IUPACprop-1-enyl cyclopentanecarboxylate
SMILESCC=COC(=O)C1CCCC1
InChIInChI=1S/C9H14O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,7-8H,3-6H2,1H3
InChIKeyWPIUBYCTIFIBQD-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.25
Rot. Bonds2

About prop-1-enyl cyclopentanecarboxylate

prop-1-enyl cyclopentanecarboxylate (PubChem CID 175317962) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is prop-1-enyl cyclopentanecarboxylate.

Molecular Properties

Compound Nameprop-1-enyl cyclopentanecarboxylate
PubChem CID175317962
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameprop-1-enyl cyclopentanecarboxylate
SMILESCC=COC(=O)C1CCCC1
InChIInChI=1S/C9H14O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,7-8H,3-6H2,1H3
InChIKeyWPIUBYCTIFIBQD-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze prop-1-enyl cyclopentanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-1-enyl cyclopentanecarboxylate?
The IUPAC name of prop-1-enyl cyclopentanecarboxylate (CID 175317962) is prop-1-enyl cyclopentanecarboxylate.
What is the SMILES notation for prop-1-enyl cyclopentanecarboxylate?
The canonical SMILES for prop-1-enyl cyclopentanecarboxylate is CC=COC(=O)C1CCCC1.
What is the InChIKey of prop-1-enyl cyclopentanecarboxylate?
The InChIKey is WPIUBYCTIFIBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,7-8H,3-6H2,1H3.
What are the key properties of prop-1-enyl cyclopentanecarboxylate?
prop-1-enyl cyclopentanecarboxylate has a molecular weight of 154.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enyl cyclopentanecarboxylate is sourced from PubChem (CID 175317962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).