N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide

C15H16N2O2 — CID 7115296

IUPACN-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C2\C[C@@H]3C=CC[C@@H]23)cc1
InChIInChI=1S/C15H16N2O2/c1-19-12-7-5-10(6-8-12)15(18)17-16-14-9-11-3-2-4-13(11)14/h2-3,5-8,11,13H,4,9H2,1H3,(H,17,18)/b16-14+/t11-,13+/m0/s1
InChIKeyVBFALWUUEFFNMJ-ZGOXPFGPSA-N
MW256.31 g/mol
LogP2.38
Rot. Bonds3

About N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide

N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide (PubChem CID 7115296) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide
PubChem CID7115296
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C2\C[C@@H]3C=CC[C@@H]23)cc1
InChIInChI=1S/C15H16N2O2/c1-19-12-7-5-10(6-8-12)15(18)17-16-14-9-11-3-2-4-13(11)14/h2-3,5-8,11,13H,4,9H2,1H3,(H,17,18)/b16-14+/t11-,13+/m0/s1
InChIKeyVBFALWUUEFFNMJ-ZGOXPFGPSA-N
XLogP2.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide 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

N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide
CID 9175261
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3,4-dimethoxybenzamide
CID 9232780
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-tert-butylphenoxy)methyl]benzamide
CID 8518027
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide
CID 9014969
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-3,4,5-triethoxybenzamide
CID 6168805
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-3,4,5-trihydroxybenzamide
CID 4112713
N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide
CID 40571457
N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-methyl-4-nitrobenzamide
CID 40544225
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 9016945
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide
CID 4251233
1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea
CID 31332397
N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-methylbutanamide
CID 40570300

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide?
The IUPAC name of N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide (CID 7115296) is N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C2\C[C@@H]3C=CC[C@@H]23)cc1.
What is the InChIKey of N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide?
The InChIKey is VBFALWUUEFFNMJ-ZGOXPFGPSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-12-7-5-10(6-8-12)15(18)17-16-14-9-11-3-2-4-13(11)14/h2-3,5-8,11,13H,4,9H2,1H3,(H,17,18)/b16-14+/t11-,13+/m0/s1.
What are the key properties of N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide?
N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide has a molecular weight of 256.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide is sourced from PubChem (CID 7115296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).