N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine

C14H12N2O3 — CID 71393953

IUPACN-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(CC(=NO)c2ccccc2)cc1
InChIInChI=1S/C14H12N2O3/c17-15-14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)16(18)19/h1-9,17H,10H2
InChIKeyNINARANZQYLRPK-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.02
Rot. Bonds4

About N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine

N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine (PubChem CID 71393953) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine
PubChem CID71393953
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(CC(=NO)c2ccccc2)cc1
InChIInChI=1S/C14H12N2O3/c17-15-14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)16(18)19/h1-9,17H,10H2
InChIKeyNINARANZQYLRPK-UHFFFAOYSA-N
XLogP3.02
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.02
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 150181858
acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine
CID 19784525
[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] benzoate
CID 5361930
potassium 2-(4-nitrophenyl)acetate
CID 15261201
2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone
CID 86222058
benzenesulfonic acid;2-(4-nitrophenyl)acetic acid
CID 174453444
2-[2-hydroxyimino-2-(4-nitrophenyl)ethyl]sulfanylbenzoic acid
CID 2807540
N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine
CID 174958902
(NE)-N-[2-methylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 102550829
N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 131849820
(NZ)-N-[1-(4-fluorophenyl)-2-phenylethylidene]hydroxylamine
CID 22277781
N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine
CID 71951323

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine?
The IUPAC name of N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine (CID 71393953) is N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine?
The canonical SMILES for N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine is O=[N+]([O-])c1ccc(CC(=NO)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine?
The InChIKey is NINARANZQYLRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-15-14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)16(18)19/h1-9,17H,10H2.
What are the key properties of N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine?
N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine has a molecular weight of 256.26 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 71393953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).