3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline

C15H15N3O2 — CID 9077469

IUPAC3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline
SMILESCC/C(=N/Nc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-2-15(12-7-4-3-5-8-12)17-16-13-9-6-10-14(11-13)18(19)20/h3-11,16H,2H2,1H3/b17-15-
InChIKeyCXPFWMUSGWDENO-ICFOKQHNSA-N
MW269.30 g/mol
LogP3.82
Rot. Bonds5

About 3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline

3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline (PubChem CID 9077469) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline.

Molecular Properties

Compound Name3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline
PubChem CID9077469
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline
SMILESCC/C(=N/Nc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-2-15(12-7-4-3-5-8-12)17-16-13-9-6-10-14(11-13)18(19)20/h3-11,16H,2H2,1H3/b17-15-
InChIKeyCXPFWMUSGWDENO-ICFOKQHNSA-N
XLogP3.82
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.82
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'}

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Related Compounds

2-nitro-N-[(E)-1-phenylpropylideneamino]aniline
CID 6132206
methyl N-[1-(3-nitrophenyl)propylideneamino]carbamate
CID 91942410
ethyl (2E)-2-[(3-nitrophenyl)hydrazinylidene]propanoate
CID 5357576
N,N'-bis[1-(3-nitrophenyl)propylideneamino]hexanediamide
CID 3943265
3-nitro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]aniline
CID 9077539
4-[(E)-C-ethyl-N-(4-nitroanilino)carbonimidoyl]-2-methylphenol
CID 135683117
3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one
CID 4509710
2,4-dinitro-N-[(Z)-1-phenylbutylideneamino]aniline
CID 6105223
3-nitro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 46566982
N-[(2-methylphenyl)methylideneamino]-3-nitroaniline
CID 4617596
4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide
CID 9077260
N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide
CID 9058741

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline?
The IUPAC name of 3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline (CID 9077469) is 3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline.
What is the SMILES notation for 3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline?
The canonical SMILES for 3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline is CC/C(=N/Nc1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline?
The InChIKey is CXPFWMUSGWDENO-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-15(12-7-4-3-5-8-12)17-16-13-9-6-10-14(11-13)18(19)20/h3-11,16H,2H2,1H3/b17-15-.
What are the key properties of 3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline?
3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline has a molecular weight of 269.30 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline is sourced from PubChem (CID 9077469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).