prop-2-enyl cyclopentanecarboxylate

C9H14O2 — CID 550225

IUPACprop-2-enyl cyclopentanecarboxylate
SMILESC=CCOC(=O)C1CCCC1
InChIInChI=1S/C9H14O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,8H,1,3-7H2
InChIKeyIFTMCYXLVAINAZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds3

About prop-2-enyl cyclopentanecarboxylate

prop-2-enyl cyclopentanecarboxylate (PubChem CID 550225) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is prop-2-enyl cyclopentanecarboxylate.

Molecular Properties

Compound Nameprop-2-enyl cyclopentanecarboxylate
PubChem CID550225
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameprop-2-enyl cyclopentanecarboxylate
SMILESC=CCOC(=O)C1CCCC1
InChIInChI=1S/C9H14O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,8H,1,3-7H2
InChIKeyIFTMCYXLVAINAZ-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 prop-2-enyl cyclopentanecarboxylate?
The IUPAC name of prop-2-enyl cyclopentanecarboxylate (CID 550225) is prop-2-enyl cyclopentanecarboxylate.
What is the SMILES notation for prop-2-enyl cyclopentanecarboxylate?
The canonical SMILES for prop-2-enyl cyclopentanecarboxylate is C=CCOC(=O)C1CCCC1.
What is the InChIKey of prop-2-enyl cyclopentanecarboxylate?
The InChIKey is IFTMCYXLVAINAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,8H,1,3-7H2.
What are the key properties of prop-2-enyl cyclopentanecarboxylate?
prop-2-enyl cyclopentanecarboxylate 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 prop-2-enyl cyclopentanecarboxylate is sourced from PubChem (CID 550225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).