N-(4-nitrophenyl)-2-nitrosoaniline

C12H9N3O3 — CID 14968784

IUPACN-(4-nitrophenyl)-2-nitrosoaniline
SMILESO=Nc1ccccc1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H9N3O3/c16-14-12-4-2-1-3-11(12)13-9-5-7-10(8-6-9)15(17)18/h1-8,13H
InChIKeyWDCISXGLNCRZJS-UHFFFAOYSA-N
MW243.22 g/mol
LogP3.74
Rot. Bonds4

About N-(4-nitrophenyl)-2-nitrosoaniline

N-(4-nitrophenyl)-2-nitrosoaniline (PubChem CID 14968784) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-nitrosoaniline.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-nitrosoaniline
PubChem CID14968784
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC NameN-(4-nitrophenyl)-2-nitrosoaniline
SMILESO=Nc1ccccc1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H9N3O3/c16-14-12-4-2-1-3-11(12)13-9-5-7-10(8-6-9)15(17)18/h1-8,13H
InChIKeyWDCISXGLNCRZJS-UHFFFAOYSA-N
XLogP3.74
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(4-nitroanilino)phenol
CID 14224817
2-N-(4-nitrophenyl)benzene-1,2-diamine
CID 13095074
1-(4-nitroanilino)anthracene-9,10-dione
CID 631257
N-(4-methoxyphenyl)-2-nitrosoaniline
CID 154665125
2-ethoxy-N-(4-nitrophenyl)aniline
CID 4763832
2-N-(4-nitrophenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 71593523
4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline
CID 787997
5-chloro-2,4-dinitro-N-(4-nitrophenyl)aniline
CID 70682761
2-methyl-3-(4-nitroanilino)benzoic acid
CID 4763865
N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
CID 14549983
2,4,6-trinitro-N-(4-nitrophenyl)aniline
CID 631601
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-nitrosoaniline?
The IUPAC name of N-(4-nitrophenyl)-2-nitrosoaniline (CID 14968784) is N-(4-nitrophenyl)-2-nitrosoaniline.
What is the SMILES notation for N-(4-nitrophenyl)-2-nitrosoaniline?
The canonical SMILES for N-(4-nitrophenyl)-2-nitrosoaniline is O=Nc1ccccc1Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-2-nitrosoaniline?
The InChIKey is WDCISXGLNCRZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-14-12-4-2-1-3-11(12)13-9-5-7-10(8-6-9)15(17)18/h1-8,13H.
What are the key properties of N-(4-nitrophenyl)-2-nitrosoaniline?
N-(4-nitrophenyl)-2-nitrosoaniline has a molecular weight of 243.22 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-nitrosoaniline is sourced from PubChem (CID 14968784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).