prop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

C11H14O2 — CID 19735004

IUPACprop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESC=CCOC(=O)C1CC2C=CC1C2
InChIInChI=1S/C11H14O2/c1-2-5-13-11(12)10-7-8-3-4-9(10)6-8/h2-4,8-10H,1,5-7H2
InChIKeyWWEAKHSTZDFDBX-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.93
Rot. Bonds3

About prop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

prop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 19735004) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is prop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID19735004
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Nameprop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESC=CCOC(=O)C1CC2C=CC1C2
InChIInChI=1S/C11H14O2/c1-2-5-13-11(12)10-7-8-3-4-9(10)6-8/h2-4,8-10H,1,5-7H2
InChIKeyWWEAKHSTZDFDBX-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.93
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 bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of prop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 19735004) is prop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for prop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for prop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is C=CCOC(=O)C1CC2C=CC1C2.
What is the InChIKey of prop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is WWEAKHSTZDFDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-5-13-11(12)10-7-8-3-4-9(10)6-8/h2-4,8-10H,1,5-7H2.
What are the key properties of prop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
prop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 178.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 19735004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).