N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide

C14H15N3O3 — CID 42065755

IUPACN-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C\C1=CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c18-14(12-6-8-13(9-7-12)17(19)20)16-15-10-11-4-2-1-3-5-11/h4,6-10H,1-3,5H2,(H,16,18)/b15-10-
InChIKeyYWYWCAVWHPAHFF-GDNBJRDFSA-N
MW273.29 g/mol
LogP2.81
Rot. Bonds4

About N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide

N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide (PubChem CID 42065755) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide
PubChem CID42065755
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C\C1=CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c18-14(12-6-8-13(9-7-12)17(19)20)16-15-10-11-4-2-1-3-5-11/h4,6-10H,1-3,5H2,(H,16,18)/b15-10-
InChIKeyYWYWCAVWHPAHFF-GDNBJRDFSA-N
XLogP2.81
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide 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-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 91933933
N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide
CID 6152139
N-(cyclohexylmethylideneamino)-4-nitrobenzamide
CID 4625468
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide
CID 774733
N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide
CID 5373177
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
CID 136832455
N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide
CID 3960646
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 137173396
N-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]-4-nitrobenzamide
CID 4516401
[4-chloro-2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 126229252
2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 4127721

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide (CID 42065755) is N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide is O=C(N/N=C\C1=CCCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide?
The InChIKey is YWYWCAVWHPAHFF-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-14(12-6-8-13(9-7-12)17(19)20)16-15-10-11-4-2-1-3-5-11/h4,6-10H,1-3,5H2,(H,16,18)/b15-10-.
What are the key properties of N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide?
N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide has a molecular weight of 273.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 42065755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).