prop-2-enyl cyclopentene-1-carboxylate

C9H12O2 — CID 45090128

IUPACprop-2-enyl cyclopentene-1-carboxylate
SMILESC=CCOC(=O)C1=CCCC1
InChIInChI=1S/C9H12O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,5H,1,3-4,6-7H2
InChIKeyCIDHHOFKKVBARY-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.83
Rot. Bonds3

About prop-2-enyl cyclopentene-1-carboxylate

prop-2-enyl cyclopentene-1-carboxylate (PubChem CID 45090128) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is prop-2-enyl cyclopentene-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl cyclopentene-1-carboxylate
PubChem CID45090128
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Nameprop-2-enyl cyclopentene-1-carboxylate
SMILESC=CCOC(=O)C1=CCCC1
InChIInChI=1S/C9H12O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,5H,1,3-4,6-7H2
InChIKeyCIDHHOFKKVBARY-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.83
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 cyclopentene-1-carboxylate?
The IUPAC name of prop-2-enyl cyclopentene-1-carboxylate (CID 45090128) is prop-2-enyl cyclopentene-1-carboxylate.
What is the SMILES notation for prop-2-enyl cyclopentene-1-carboxylate?
The canonical SMILES for prop-2-enyl cyclopentene-1-carboxylate is C=CCOC(=O)C1=CCCC1.
What is the InChIKey of prop-2-enyl cyclopentene-1-carboxylate?
The InChIKey is CIDHHOFKKVBARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,5H,1,3-4,6-7H2.
What are the key properties of prop-2-enyl cyclopentene-1-carboxylate?
prop-2-enyl cyclopentene-1-carboxylate has a molecular weight of 152.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl cyclopentene-1-carboxylate is sourced from PubChem (CID 45090128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).