2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate

C11H16O2 — CID 66874701

IUPAC2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate
SMILESCC(C)C(=O)OC1=CC2CCC1C2
InChIInChI=1S/C11H16O2/c1-7(2)11(12)13-10-6-8-3-4-9(10)5-8/h6-9H,3-5H2,1-2H3
InChIKeyBJUCYWIZPGIJHC-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.50
Rot. Bonds2

About 2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate

2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate (PubChem CID 66874701) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate
PubChem CID66874701
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate
SMILESCC(C)C(=O)OC1=CC2CCC1C2
InChIInChI=1S/C11H16O2/c1-7(2)11(12)13-10-6-8-3-4-9(10)5-8/h6-9H,3-5H2,1-2H3
InChIKeyBJUCYWIZPGIJHC-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate?
The IUPAC name of 2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate (CID 66874701) is 2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate?
The canonical SMILES for 2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate is CC(C)C(=O)OC1=CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate?
The InChIKey is BJUCYWIZPGIJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7(2)11(12)13-10-6-8-3-4-9(10)5-8/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate?
2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate has a molecular weight of 180.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate is sourced from PubChem (CID 66874701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).