N-[(E)-2-nitro-1-phenylethenyl]aniline

C14H12N2O2 — CID 11579598

IUPACN-[(E)-2-nitro-1-phenylethenyl]aniline
SMILESO=[N+]([O-])/C=C(/Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2O2/c17-16(18)11-14(12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h1-11,15H/b14-11+
InChIKeyYYBQUKQYGXSJBN-SDNWHVSQSA-N
MW240.26 g/mol
LogP3.37
Rot. Bonds4

About N-[(E)-2-nitro-1-phenylethenyl]aniline

N-[(E)-2-nitro-1-phenylethenyl]aniline (PubChem CID 11579598) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[(E)-2-nitro-1-phenylethenyl]aniline.

Molecular Properties

Compound NameN-[(E)-2-nitro-1-phenylethenyl]aniline
PubChem CID11579598
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC NameN-[(E)-2-nitro-1-phenylethenyl]aniline
SMILESO=[N+]([O-])/C=C(/Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2O2/c17-16(18)11-14(12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h1-11,15H/b14-11+
InChIKeyYYBQUKQYGXSJBN-SDNWHVSQSA-N
XLogP3.37
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-methoxy-2-nitroethenyl]benzene
CID 134895060
(2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one
CID 162340783
(3-methyl-1-nitrobut-1-en-2-yl)benzene
CID 67236691
(Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one
CID 51356633
1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 134890505
(E)-3-anilino-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
CID 22305442
(Z)-3-(methylamino)-N,3-diphenylprop-2-enamide
CID 25157764
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
1-nitro-2-phenylethene-1,2-diol
CID 139815015
1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 12634354
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
2-fluoro-2,2-dinitro-N-phenylacetamide
CID 150962851

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-nitro-1-phenylethenyl]aniline?
The IUPAC name of N-[(E)-2-nitro-1-phenylethenyl]aniline (CID 11579598) is N-[(E)-2-nitro-1-phenylethenyl]aniline.
What is the SMILES notation for N-[(E)-2-nitro-1-phenylethenyl]aniline?
The canonical SMILES for N-[(E)-2-nitro-1-phenylethenyl]aniline is O=[N+]([O-])/C=C(/Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-2-nitro-1-phenylethenyl]aniline?
The InChIKey is YYBQUKQYGXSJBN-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-16(18)11-14(12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h1-11,15H/b14-11+.
What are the key properties of N-[(E)-2-nitro-1-phenylethenyl]aniline?
N-[(E)-2-nitro-1-phenylethenyl]aniline has a molecular weight of 240.26 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-nitro-1-phenylethenyl]aniline is sourced from PubChem (CID 11579598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).