methyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate

C19H18O2 — CID 159057175

IUPACmethyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2c(C34C=CC(CC3)C4)cccc12
InChIInChI=1S/C19H18O2/c1-21-18(20)16-6-2-5-15-14(16)4-3-7-17(15)19-10-8-13(12-19)9-11-19/h2-8,10,13H,9,11-12H2,1H3
InChIKeyJXZRVQDJHFAENL-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.23
Rot. Bonds2

About methyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate

methyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate (PubChem CID 159057175) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate
PubChem CID159057175
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Namemethyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2c(C34C=CC(CC3)C4)cccc12
InChIInChI=1S/C19H18O2/c1-21-18(20)16-6-2-5-15-14(16)4-3-7-17(15)19-10-8-13(12-19)9-11-19/h2-8,10,13H,9,11-12H2,1H3
InChIKeyJXZRVQDJHFAENL-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate 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

methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride
CID 154577525
methyl benzo[f]quinoline-7-carboxylate
CID 141374435
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate
CID 169271541
methyl cinnoline-5-carboxylate
CID 133080936
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(2-bromo-1-cyanocyclobutyl)benzoate
CID 171798040
methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
methyl 2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzoate
CID 115998672

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate?
The IUPAC name of methyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate (CID 159057175) is methyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate.
What is the SMILES notation for methyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate?
The canonical SMILES for methyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate is COC(=O)c1cccc2c(C34C=CC(CC3)C4)cccc12.
What is the InChIKey of methyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate?
The InChIKey is JXZRVQDJHFAENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-21-18(20)16-6-2-5-15-14(16)4-3-7-17(15)19-10-8-13(12-19)9-11-19/h2-8,10,13H,9,11-12H2,1H3.
What are the key properties of methyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate?
methyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-bicyclo[2.2.1]hept-2-enyl)naphthalene-1-carboxylate is sourced from PubChem (CID 159057175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).