benzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

C15H16O2 — CID 4083792

IUPACbenzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESO=C(OCc1ccccc1)C1CC2C=CC1C2
InChIInChI=1S/C15H16O2/c16-15(14-9-12-6-7-13(14)8-12)17-10-11-4-2-1-3-5-11/h1-7,12-14H,8-10H2
InChIKeyOYGJCQBQTZZCQO-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.94
Rot. Bonds3

About benzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

benzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 4083792) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is benzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Namebenzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID4083792
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Namebenzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESO=C(OCc1ccccc1)C1CC2C=CC1C2
InChIInChI=1S/C15H16O2/c16-15(14-9-12-6-7-13(14)8-12)17-10-11-4-2-1-3-5-11/h1-7,12-14H,8-10H2
InChIKeyOYGJCQBQTZZCQO-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.94
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 benzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of benzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 4083792) is benzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for benzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for benzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is O=C(OCc1ccccc1)C1CC2C=CC1C2.
What is the InChIKey of benzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is OYGJCQBQTZZCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c16-15(14-9-12-6-7-13(14)8-12)17-10-11-4-2-1-3-5-11/h1-7,12-14H,8-10H2.
What are the key properties of benzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
benzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 4083792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).