(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine

C14H11N3O2 — CID 139599955

IUPAC(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
SMILESO=[N+]([O-])c1ccc(/C=N/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H11N3O2/c18-17(19)14-8-6-13(7-9-14)11-16-15-10-12-4-2-1-3-5-12/h1-11H/b15-10+,16-11+
InChIKeyZXRMMIZUENVYSE-RWPWKDLBSA-N
MW253.26 g/mol
LogP3.05
Rot. Bonds4

About (E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine

(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine (PubChem CID 139599955) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is (E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
PubChem CID139599955
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
SMILESO=[N+]([O-])c1ccc(/C=N/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H11N3O2/c18-17(19)14-8-6-13(7-9-14)11-16-15-10-12-4-2-1-3-5-12/h1-11H/b15-10+,16-11+
InChIKeyZXRMMIZUENVYSE-RWPWKDLBSA-N
XLogP3.05
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
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'}

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Related Compounds

N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
CID 70171064
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
(NZ)-N-benzylidene-4-nitrobenzenesulfonamide
CID 6045437
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
(E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine
CID 23642442
N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
CID 95564004
(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
CID 102486520
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline
CID 787997
4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol
CID 135618948
2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol
CID 5252818

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine?
The IUPAC name of (E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine (CID 139599955) is (E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine.
What is the SMILES notation for (E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine?
The canonical SMILES for (E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine is O=[N+]([O-])c1ccc(/C=N/N=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine?
The InChIKey is ZXRMMIZUENVYSE-RWPWKDLBSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-17(19)14-8-6-13(7-9-14)11-16-15-10-12-4-2-1-3-5-12/h1-11H/b15-10+,16-11+.
What are the key properties of (E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine?
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine has a molecular weight of 253.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine is sourced from PubChem (CID 139599955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).