methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate

C10H11N3O6 — CID 135642261

IUPACmethyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1ccc(O)c(OC)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O6/c1-18-9-7(14)4-3-6(8(9)13(16)17)5-11-12-10(15)19-2/h3-5,14H,1-2H3,(H,12,15)/b11-5+
InChIKeyGUWUMDZKZGEKQS-VZUCSPMQSA-N
MW269.21 g/mol
LogP1.00
Rot. Bonds4

About methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate

methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate (PubChem CID 135642261) has the molecular formula C10H11N3O6 and a molecular weight of 269.21 g/mol. Its IUPAC name is methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate
PubChem CID135642261
Molecular FormulaC10H11N3O6
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Namemethyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1ccc(O)c(OC)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O6/c1-18-9-7(14)4-3-6(8(9)13(16)17)5-11-12-10(15)19-2/h3-5,14H,1-2H3,(H,12,15)/b11-5+
InChIKeyGUWUMDZKZGEKQS-VZUCSPMQSA-N
XLogP1.00
TPSA123.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

2-bromo-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide
CID 5221526
2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide
CID 136713263
2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide
CID 136713274
2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135589413
2-chloro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 136714380
4-amino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 135909224
N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 135644192
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590228
5-tert-butyl-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135952608
4-[(Z)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-2-methoxy-3-nitrophenol
CID 137089110
methyl N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 135730415

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate (CID 135642261) is methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate is COC(=O)N/N=C/c1ccc(O)c(OC)c1[N+](=O)[O-].
What is the InChIKey of methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate?
The InChIKey is GUWUMDZKZGEKQS-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H11N3O6/c1-18-9-7(14)4-3-6(8(9)13(16)17)5-11-12-10(15)19-2/h3-5,14H,1-2H3,(H,12,15)/b11-5+.
What are the key properties of methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate?
methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate has a molecular weight of 269.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate is sourced from PubChem (CID 135642261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).