2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate

C14H20O2 — CID 22278115

IUPAC2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1=CC2CCC1C2
InChIInChI=1S/C14H20O2/c1-9(2)13(15)16-14(3,4)12-8-10-5-6-11(12)7-10/h8,10-11H,1,5-7H2,2-4H3
InChIKeyBNAOMEYDXARYQH-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.24
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate

2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 22278115) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate
PubChem CID22278115
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1=CC2CCC1C2
InChIInChI=1S/C14H20O2/c1-9(2)13(15)16-14(3,4)12-8-10-5-6-11(12)7-10/h8,10-11H,1,5-7H2,2-4H3
InChIKeyBNAOMEYDXARYQH-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.24
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 2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate (CID 22278115) is 2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C1=CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is BNAOMEYDXARYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(2)13(15)16-14(3,4)12-8-10-5-6-11(12)7-10/h8,10-11H,1,5-7H2,2-4H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate?
2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 220.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 22278115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).