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

C14H13N3O3 — CID 9014969

IUPACN-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide
SMILESO=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O3/c18-14(9-4-6-11(7-5-9)17(19)20)16-15-13-8-10-2-1-3-12(10)13/h1-2,4-7,10,12H,3,8H2,(H,16,18)/b15-13-/t10-,12+/m1/s1
InChIKeyDZAOIJYWNASQHZ-KLRHKGEASA-N
MW271.28 g/mol
LogP2.28
Rot. Bonds3

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

N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide (PubChem CID 9014969) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide
PubChem CID9014969
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide
SMILESO=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O3/c18-14(9-4-6-11(7-5-9)17(19)20)16-15-13-8-10-2-1-3-12(10)13/h1-2,4-7,10,12H,3,8H2,(H,16,18)/b15-13-/t10-,12+/m1/s1
InChIKeyDZAOIJYWNASQHZ-KLRHKGEASA-N
XLogP2.28
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methylbenzamide
CID 9175261
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-(6-bicyclo[3.2.0]hept-2-enylideneamino)-3,4,5-trihydroxybenzamide
CID 4112713
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 11929134
4-nitro-N-[[6-[(4-nitrobenzoyl)hydrazinylidene]-3-tricyclo[6.2.1.02,7]undeca-4,9-dienylidene]amino]benzamide
CID 71945057
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide
CID 27473621
N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-methylbutanamide
CID 40570300
N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide
CID 9156049
N-(diaminomethylideneamino)-4-nitrobenzamide
CID 10632849
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
CID 6544583
N-diazenyl-4-nitrobenzamide
CID 141438284

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide (CID 9014969) is N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide is O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide?
The InChIKey is DZAOIJYWNASQHZ-KLRHKGEASA-N. The full InChI is InChI=1S/C14H13N3O3/c18-14(9-4-6-11(7-5-9)17(19)20)16-15-13-8-10-2-1-3-12(10)13/h1-2,4-7,10,12H,3,8H2,(H,16,18)/b15-13-/t10-,12+/m1/s1.
What are the key properties of N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide?
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide has a molecular weight of 271.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-nitrobenzamide is sourced from PubChem (CID 9014969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).