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

C15H16N2O — CID 9175261

IUPACN-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)cc1
InChIInChI=1S/C15H16N2O/c1-10-5-7-11(8-6-10)15(18)17-16-14-9-12-3-2-4-13(12)14/h2-3,5-8,12-13H,4,9H2,1H3,(H,17,18)/b16-14-/t12-,13+/m0/s1
InChIKeyXAACVNPHPQKACY-XKJOCENUSA-N
MW240.31 g/mol
LogP2.68
Rot. Bonds2

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

N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide (PubChem CID 9175261) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide
PubChem CID9175261
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)cc1
InChIInChI=1S/C15H16N2O/c1-10-5-7-11(8-6-10)15(18)17-16-14-9-12-3-2-4-13(12)14/h2-3,5-8,12-13H,4,9H2,1H3,(H,17,18)/b16-14-/t12-,13+/m0/s1
InChIKeyXAACVNPHPQKACY-XKJOCENUSA-N
XLogP2.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide
CID 7115296
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 11929134
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide
CID 9014969
N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-methyl-4-nitrobenzamide
CID 40544225
N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-methyl-4-nitrobenzamide
CID 40544223
N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide
CID 9156049
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-3,4,5-trihydroxybenzamide
CID 4112713
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-tert-butylphenoxy)methyl]benzamide
CID 8518027
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide
CID 9408998
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide
CID 8518841
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 9016945
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide
CID 6001760

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide (CID 9175261) is N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)cc1.
What is the InChIKey of N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide?
The InChIKey is XAACVNPHPQKACY-XKJOCENUSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-5-7-11(8-6-10)15(18)17-16-14-9-12-3-2-4-13(12)14/h2-3,5-8,12-13H,4,9H2,1H3,(H,17,18)/b16-14-/t12-,13+/m0/s1.
What are the key properties of N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide?
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide has a molecular weight of 240.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide is sourced from PubChem (CID 9175261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).