N-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine

C9H8N2O3 — CID 176527782

IUPACN-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine
SMILESCc1cccc([N+](=O)[O-])c1C=C=NO
InChIInChI=1S/C9H8N2O3/c1-7-3-2-4-9(11(13)14)8(7)5-6-10-12/h2-5,12H,1H3
InChIKeyULHILPAOLJXYAN-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.98
Rot. Bonds2

About N-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine

N-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine (PubChem CID 176527782) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is N-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine
PubChem CID176527782
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC NameN-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine
SMILESCc1cccc([N+](=O)[O-])c1C=C=NO
InChIInChI=1S/C9H8N2O3/c1-7-3-2-4-9(11(13)14)8(7)5-6-10-12/h2-5,12H,1H3
InChIKeyULHILPAOLJXYAN-UHFFFAOYSA-N
XLogP1.98
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.98
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

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CID 170482299
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CID 169465901
2-methyl-6-nitrobenzenesulfonic acid;hydrochloride
CID 88828256
(2,6-dinitrophenyl)methylidenehydrazine
CID 168530907
1-methyl-2,3-dinitrobenzene;1,2,3-trinitrobenzene
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1-methyl-2,3-dinitrobenzene;hydrate
CID 86587264
1-[1-(2-methyl-6-nitrophenyl)penta-1,4-dien-2-yl]pyrrole
CID 174818117
2-(2-methyl-6-nitrophenyl)sulfonylethanesulfonamide
CID 113334102
N-diazo-2-methyl-6-nitrobenzenesulfonamide
CID 43452575
(Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium
CID 135627076
2-ethenyl-3-nitrophenol
CID 10583166

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine?
The IUPAC name of N-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine (CID 176527782) is N-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine.
What is the SMILES notation for N-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine?
The canonical SMILES for N-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine is Cc1cccc([N+](=O)[O-])c1C=C=NO.
What is the InChIKey of N-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine?
The InChIKey is ULHILPAOLJXYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-7-3-2-4-9(11(13)14)8(7)5-6-10-12/h2-5,12H,1H3.
What are the key properties of N-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine?
N-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine has a molecular weight of 192.17 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-6-nitrophenyl)ethenylidene]hydroxylamine is sourced from PubChem (CID 176527782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).