(NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine

C9H10N2O3 — CID 172974289

IUPAC(NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C9H10N2O3/c1-6-5-8(7(2)10-12)3-4-9(6)11(13)14/h3-5,12H,1-2H3/b10-7+
InChIKeyNVJUJEJWKGCJAD-JXMROGBWSA-N
MW194.19 g/mol
LogP2.10
Rot. Bonds2

About (NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine

(NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine (PubChem CID 172974289) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine
PubChem CID172974289
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C9H10N2O3/c1-6-5-8(7(2)10-12)3-4-9(6)11(13)14/h3-5,12H,1-2H3/b10-7+
InChIKeyNVJUJEJWKGCJAD-JXMROGBWSA-N
XLogP2.10
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 52.10
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

(1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride
CID 23159814
(1Z)-N-hydroxy-2-(3-methyl-4-nitrophenyl)-2-oxoethanimidoyl chloride
CID 58370468
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 3285738
N'-hydroxy-3-methyl-4-nitrobenzenecarboximidamide;3-methyl-4-nitrobenzonitrile
CID 158939002
3-methyl-N-(1-naphthalen-2-ylethylideneamino)-4-nitrobenzamide
CID 5109647
N-[1-(4-bromophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 4538116
methanesulfonic acid;3-methyl-4-nitrobenzoic acid
CID 159529273
N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 19685688
(NE)-N-[(3-methyl-4-nitrophenyl)methylidene]hydroxylamine
CID 59034617
(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone
CID 11391183
3-chloro-1-(3-methyl-4-nitrophenyl)propan-1-one
CID 134628673
N-[1-(4-methoxyphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 4667639

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine (CID 172974289) is (NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine is C/C(=N\O)c1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of (NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine?
The InChIKey is NVJUJEJWKGCJAD-JXMROGBWSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-6-5-8(7(2)10-12)3-4-9(6)11(13)14/h3-5,12H,1-2H3/b10-7+.
What are the key properties of (NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine?
(NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine has a molecular weight of 194.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 172974289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).