N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide

C10H11N3O5 — CID 135645954

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide
SMILESCOc1cccc(/C=N/NC(=O)C[N+](=O)[O-])c1O
InChIInChI=1S/C10H11N3O5/c1-18-8-4-2-3-7(10(8)15)5-11-12-9(14)6-13(16)17/h2-5,15H,6H2,1H3,(H,12,14)/b11-5+
InChIKeyFVHIIXNOYJLPRF-VZUCSPMQSA-N
MW253.21 g/mol
LogP0.13
Rot. Bonds5

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide (PubChem CID 135645954) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide
PubChem CID135645954
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide
SMILESCOc1cccc(/C=N/NC(=O)C[N+](=O)[O-])c1O
InChIInChI=1S/C10H11N3O5/c1-18-8-4-2-3-7(10(8)15)5-11-12-9(14)6-13(16)17/h2-5,15H,6H2,1H3,(H,12,14)/b11-5+
InChIKeyFVHIIXNOYJLPRF-VZUCSPMQSA-N
XLogP0.13
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
CID 135533696
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
CID 4127873
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3983517
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135579478
3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135553938
2-(4-bromo-2-nitrophenoxy)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1381696
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
2-(2-fluorophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135852687

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide (CID 135645954) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide is COc1cccc(/C=N/NC(=O)C[N+](=O)[O-])c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide?
The InChIKey is FVHIIXNOYJLPRF-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H11N3O5/c1-18-8-4-2-3-7(10(8)15)5-11-12-9(14)6-13(16)17/h2-5,15H,6H2,1H3,(H,12,14)/b11-5+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide has a molecular weight of 253.21 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide is sourced from PubChem (CID 135645954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).