N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide

C18H20N2O — CID 51721297

IUPACN-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide
SMILESCn1ccc2c(C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)cccc21
InChIInChI=1S/C18H20N2O/c1-20-8-7-15-16(3-2-4-17(15)20)18(21)19-11-14-10-12-5-6-13(14)9-12/h2-8,12-14H,9-11H2,1H3,(H,19,21)/t12-,13+,14-/m1/s1
InChIKeyNMRZIXUNKGHCDF-HZSPNIEDSA-N
MW280.37 g/mol
LogP3.12
Rot. Bonds3

About N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide

N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide (PubChem CID 51721297) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide
PubChem CID51721297
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide
SMILESCn1ccc2c(C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)cccc21
InChIInChI=1S/C18H20N2O/c1-20-8-7-15-16(3-2-4-17(15)20)18(21)19-11-14-10-12-5-6-13(14)9-12/h2-8,12-14H,9-11H2,1H3,(H,19,21)/t12-,13+,14-/m1/s1
InChIKeyNMRZIXUNKGHCDF-HZSPNIEDSA-N
XLogP3.12
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide 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 N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide?
The IUPAC name of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide (CID 51721297) is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide.
What is the SMILES notation for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide?
The canonical SMILES for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide is Cn1ccc2c(C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)cccc21.
What is the InChIKey of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide?
The InChIKey is NMRZIXUNKGHCDF-HZSPNIEDSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20-8-7-15-16(3-2-4-17(15)20)18(21)19-11-14-10-12-5-6-13(14)9-12/h2-8,12-14H,9-11H2,1H3,(H,19,21)/t12-,13+,14-/m1/s1.
What are the key properties of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide?
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide is sourced from PubChem (CID 51721297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).