2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol

C9H10N2O4 — CID 137199495

IUPAC2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol
SMILESC/C(=N/O)c1cc(C)cc([N+](=O)[O-])c1O
InChIInChI=1S/C9H10N2O4/c1-5-3-7(6(2)10-13)9(12)8(4-5)11(14)15/h3-4,12-13H,1-2H3/b10-6-
InChIKeyZOQJXAOAPZXTQF-POHAHGRESA-N
MW210.19 g/mol
LogP1.81
Rot. Bonds2

About 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol

2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol (PubChem CID 137199495) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol.

Molecular Properties

Compound Name2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol
PubChem CID137199495
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol
SMILESC/C(=N/O)c1cc(C)cc([N+](=O)[O-])c1O
InChIInChI=1S/C9H10N2O4/c1-5-3-7(6(2)10-13)9(12)8(4-5)11(14)15/h3-4,12-13H,1-2H3/b10-6-
InChIKeyZOQJXAOAPZXTQF-POHAHGRESA-N
XLogP1.81
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-methyl-3-nitrobenzene-1,2-diol
CID 3976897
2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone
CID 170896347
N,N-diethyl-2-hydroxy-5-methyl-3-nitrobenzamide
CID 14980172
(NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine
CID 172974289
2-isocyanato-4-methyl-6-nitrophenol
CID 169354691
2,5-dimethyl-3-nitrobenzamide
CID 119008464
2,5-dimethyl-3-nitrobenzoyl chloride
CID 96829774
1-[5-(chloromethyl)-2-hydroxy-3-nitrophenyl]ethanone
CID 71375100
1-(2-hydroxy-5-iodo-3-nitrophenyl)ethanone
CID 171026093
titanium;tetrakis(2,4,6-trinitrophenol)
CID 175054734
cobalt;2,4,6-trinitrophenol
CID 88826081
sodium 4-methyl-2,6-dinitrophenolate
CID 102438433

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol?
The IUPAC name of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol (CID 137199495) is 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol.
What is the SMILES notation for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol?
The canonical SMILES for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol is C/C(=N/O)c1cc(C)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol?
The InChIKey is ZOQJXAOAPZXTQF-POHAHGRESA-N. The full InChI is InChI=1S/C9H10N2O4/c1-5-3-7(6(2)10-13)9(12)8(4-5)11(14)15/h3-4,12-13H,1-2H3/b10-6-.
What are the key properties of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol?
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol has a molecular weight of 210.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol is sourced from PubChem (CID 137199495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).