benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate

C16H18O2 — CID 155012287

IUPACbenzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
SMILESO=C(CC1CC2C=CC1C2)OCc1ccccc1
InChIInChI=1S/C16H18O2/c17-16(18-11-12-4-2-1-3-5-12)10-15-9-13-6-7-14(15)8-13/h1-7,13-15H,8-11H2
InChIKeyMWYNSGLFENJURG-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.33
Rot. Bonds4

About benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate

benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate (PubChem CID 155012287) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate.

Molecular Properties

Compound Namebenzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
PubChem CID155012287
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Namebenzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
SMILESO=C(CC1CC2C=CC1C2)OCc1ccccc1
InChIInChI=1S/C16H18O2/c17-16(18-11-12-4-2-1-3-5-12)10-15-9-13-6-7-14(15)8-13/h1-7,13-15H,8-11H2
InChIKeyMWYNSGLFENJURG-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzyl 2-(2-bicyclo[2.2.1]hept-5-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

Related Compounds

[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-phenylacetate
CID 98571872
2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide
CID 134224964
2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 102120201
6-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 174647596
4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 174621370
benzyl 2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetate
CID 146279077
5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene
CID 21426212
2-bicyclo[2.2.1]hept-5-enylmethyl 4-phenylbenzoate
CID 22237216
cis-(1R,3S)-3-(2-oxo-2-phenylmethoxyethyl)cyclohexane-1-carboxylic acid
CID 158241245
benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate
CID 58062979
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate
CID 134883298
benzyl 2-(2-oxocyclobutyl)acetate
CID 58062904

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
The IUPAC name of benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate (CID 155012287) is benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate.
What is the SMILES notation for benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
The canonical SMILES for benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate is O=C(CC1CC2C=CC1C2)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
The InChIKey is MWYNSGLFENJURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c17-16(18-11-12-4-2-1-3-5-12)10-15-9-13-6-7-14(15)8-13/h1-7,13-15H,8-11H2.
What are the key properties of benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate has a molecular weight of 242.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate is sourced from PubChem (CID 155012287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).