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

C9H12O2 — CID 23264546

IUPAC2-bicyclo[2.2.1]hept-2-enyl acetate
SMILESCC(=O)OC1=CC2CCC1C2
InChIInChI=1S/C9H12O2/c1-6(10)11-9-5-7-2-3-8(9)4-7/h5,7-8H,2-4H2,1H3
InChIKeyUZSCXTCCAFCQNF-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.86
Rot. Bonds1

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

2-bicyclo[2.2.1]hept-2-enyl acetate (PubChem CID 23264546) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-2-enyl acetate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-2-enyl acetate
PubChem CID23264546
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-bicyclo[2.2.1]hept-2-enyl acetate
SMILESCC(=O)OC1=CC2CCC1C2
InChIInChI=1S/C9H12O2/c1-6(10)11-9-5-7-2-3-8(9)4-7/h5,7-8H,2-4H2,1H3
InChIKeyUZSCXTCCAFCQNF-UHFFFAOYSA-N
XLogP1.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bicyclo[2.2.1]hept-2-enyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-2-enyl acetate?
The IUPAC name of 2-bicyclo[2.2.1]hept-2-enyl acetate (CID 23264546) is 2-bicyclo[2.2.1]hept-2-enyl acetate.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-2-enyl acetate?
The canonical SMILES for 2-bicyclo[2.2.1]hept-2-enyl acetate is CC(=O)OC1=CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-2-enyl acetate?
The InChIKey is UZSCXTCCAFCQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6(10)11-9-5-7-2-3-8(9)4-7/h5,7-8H,2-4H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]hept-2-enyl acetate?
2-bicyclo[2.2.1]hept-2-enyl acetate has a molecular weight of 152.19 g/mol, XLogP of 1.86, 1 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 acetate is sourced from PubChem (CID 23264546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).