(NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine

C15H14N4O3 — CID 137126520

IUPAC(NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine
SMILESCC(=N/Nc1ccccc1)/C(=N/O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N4O3/c1-11(16-17-13-5-3-2-4-6-13)15(18-20)12-7-9-14(10-8-12)19(21)22/h2-10,17,20H,1H3/b16-11-,18-15-
InChIKeyYCLNQBUKWBEOFB-VCIUWRPASA-N
MW298.30 g/mol
LogP3.26
Rot. Bonds5

About (NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine

(NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine (PubChem CID 137126520) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is (NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine
PubChem CID137126520
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name(NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine
SMILESCC(=N/Nc1ccccc1)/C(=N/O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N4O3/c1-11(16-17-13-5-3-2-4-6-13)15(18-20)12-7-9-14(10-8-12)19(21)22/h2-10,17,20H,1H3/b16-11-,18-15-
InChIKeyYCLNQBUKWBEOFB-VCIUWRPASA-N
XLogP3.26
TPSA100.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone
CID 86222058
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
N-[(Z)-[(3Z)-4-anilino-3-hydroxyimino-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide
CID 136861513
4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
CID 12706501
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide
CID 129440840
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
N-[1-(4-bromophenyl)ethylideneamino]-4-nitroaniline
CID 607339
(1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonoyl bromide
CID 11348604

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine (CID 137126520) is (NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine is CC(=N/Nc1ccccc1)/C(=N/O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine?
The InChIKey is YCLNQBUKWBEOFB-VCIUWRPASA-N. The full InChI is InChI=1S/C15H14N4O3/c1-11(16-17-13-5-3-2-4-6-13)15(18-20)12-7-9-14(10-8-12)19(21)22/h2-10,17,20H,1H3/b16-11-,18-15-.
What are the key properties of (NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine?
(NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine has a molecular weight of 298.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine is sourced from PubChem (CID 137126520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).