(2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate

C13H16O2 — CID 22590286

IUPAC(2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate
SMILESC=CC1=CC2CCC1(OC(=O)C(=C)C)C2
InChIInChI=1S/C13H16O2/c1-4-11-7-10-5-6-13(11,8-10)15-12(14)9(2)3/h4,7,10H,1-2,5-6,8H2,3H3
InChIKeyUJYCCPZOQMFEOD-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.77
Rot. Bonds3

About (2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate

(2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate (PubChem CID 22590286) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate
PubChem CID22590286
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate
SMILESC=CC1=CC2CCC1(OC(=O)C(=C)C)C2
InChIInChI=1S/C13H16O2/c1-4-11-7-10-5-6-13(11,8-10)15-12(14)9(2)3/h4,7,10H,1-2,5-6,8H2,3H3
InChIKeyUJYCCPZOQMFEOD-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate?
The IUPAC name of (2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate (CID 22590286) is (2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate is C=CC1=CC2CCC1(OC(=O)C(=C)C)C2.
What is the InChIKey of (2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate?
The InChIKey is UJYCCPZOQMFEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-11-7-10-5-6-13(11,8-10)15-12(14)9(2)3/h4,7,10H,1-2,5-6,8H2,3H3.
What are the key properties of (2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate?
(2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate has a molecular weight of 204.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate is sourced from PubChem (CID 22590286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).