(E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine

C14H13N3O2 — CID 10106404

IUPAC(E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine
SMILESCc1ccc(/C(=N/N)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O2/c1-10-7-8-12(9-13(10)17(18)19)14(16-15)11-5-3-2-4-6-11/h2-9H,15H2,1H3/b16-14+
InChIKeyNDDLIIARPADMHX-JQIJEIRASA-N
MW255.28 g/mol
LogP2.61
Rot. Bonds3

About (E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine

(E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine (PubChem CID 10106404) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is (E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine.

Molecular Properties

Compound Name(E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine
PubChem CID10106404
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name(E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine
SMILESCc1ccc(/C(=N/N)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O2/c1-10-7-8-12(9-13(10)17(18)19)14(16-15)11-5-3-2-4-6-11/h2-9H,15H2,1H3/b16-14+
InChIKeyNDDLIIARPADMHX-JQIJEIRASA-N
XLogP2.61
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

1-(4-methyl-3-nitrophenyl)-3-phenylpropane-1,3-dione
CID 43138906
[(Z)-[amino(phenyl)methylidene]amino] 4-methyl-3-nitrobenzoate
CID 19289947
bis(4-methyl-3-nitrophenyl)methanone
CID 2259929
ethane;4-methyl-3-nitrobenzamide
CID 143806264
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203764
4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide
CID 4183626
1-methyl-2-nitro-4-phenylbenzene
CID 12909826
1-(4-methyl-3-nitrophenyl)propan-1-one
CID 23244249
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717
N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide
CID 46564802
N-bromo-N-(4-methyl-3-nitrophenyl)benzamide
CID 87596135
4-methyl-3-nitro-N-(2-phenylpropylideneamino)benzamide
CID 4992435

Frequently Asked Questions

What is the IUPAC name of (E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine?
The IUPAC name of (E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine (CID 10106404) is (E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine.
What is the SMILES notation for (E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine?
The canonical SMILES for (E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine is Cc1ccc(/C(=N/N)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of (E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine?
The InChIKey is NDDLIIARPADMHX-JQIJEIRASA-N. The full InChI is InChI=1S/C14H13N3O2/c1-10-7-8-12(9-13(10)17(18)19)14(16-15)11-5-3-2-4-6-11/h2-9H,15H2,1H3/b16-14+.
What are the key properties of (E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine?
(E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine has a molecular weight of 255.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(4-methyl-3-nitrophenyl)-phenylmethylidene]hydrazine is sourced from PubChem (CID 10106404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).