1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate

C11H14O2 — CID 19834357

IUPAC1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate
SMILESC=CC(=O)OCC12C=CC(CC1)C2
InChIInChI=1S/C11H14O2/c1-2-10(12)13-8-11-5-3-9(7-11)4-6-11/h2-3,5,9H,1,4,6-8H2
InChIKeySRYPHIRLPDUFEH-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.07
Rot. Bonds3

About 1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate

1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate (PubChem CID 19834357) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate.

Molecular Properties

Compound Name1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate
PubChem CID19834357
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate
SMILESC=CC(=O)OCC12C=CC(CC1)C2
InChIInChI=1S/C11H14O2/c1-2-10(12)13-8-11-5-3-9(7-11)4-6-11/h2-3,5,9H,1,4,6-8H2
InChIKeySRYPHIRLPDUFEH-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate?
The IUPAC name of 1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate (CID 19834357) is 1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate.
What is the SMILES notation for 1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate?
The canonical SMILES for 1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate is C=CC(=O)OCC12C=CC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate?
The InChIKey is SRYPHIRLPDUFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-10(12)13-8-11-5-3-9(7-11)4-6-11/h2-3,5,9H,1,4,6-8H2.
What are the key properties of 1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate?
1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate has a molecular weight of 178.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate is sourced from PubChem (CID 19834357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).