2-(ethyliminomethyl)-3-methoxy-5-nitrophenol

C10H12N2O4 — CID 136832689

IUPAC2-(ethyliminomethyl)-3-methoxy-5-nitrophenol
SMILESCC/N=C/c1c(O)cc([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H12N2O4/c1-3-11-6-8-9(13)4-7(12(14)15)5-10(8)16-2/h4-6,13H,3H2,1-2H3/b11-6+
InChIKeyGAALUPJMDSQWKZ-IZZDOVSWSA-N
MW224.22 g/mol
LogP1.75
Rot. Bonds4

About 2-(ethyliminomethyl)-3-methoxy-5-nitrophenol

2-(ethyliminomethyl)-3-methoxy-5-nitrophenol (PubChem CID 136832689) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(ethyliminomethyl)-3-methoxy-5-nitrophenol.

Molecular Properties

Compound Name2-(ethyliminomethyl)-3-methoxy-5-nitrophenol
PubChem CID136832689
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-(ethyliminomethyl)-3-methoxy-5-nitrophenol
SMILESCC/N=C/c1c(O)cc([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H12N2O4/c1-3-11-6-8-9(13)4-7(12(14)15)5-10(8)16-2/h4-6,13H,3H2,1-2H3/b11-6+
InChIKeyGAALUPJMDSQWKZ-IZZDOVSWSA-N
XLogP1.75
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol
CID 135963051
ethane;2-methoxy-4-nitrophenol
CID 91188946
dichloromethane;2-methoxy-4-nitrophenol
CID 141183892
2-formyl-3-methoxy-5-nitrobenzoic acid
CID 171023213
2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol
CID 136704595
sodium;hydride;2-methoxy-5-nitrophenol
CID 173002361
1-fluoro-2-methoxy-4-nitrobenzene;2-fluoro-5-nitrophenol;iodomethane
CID 159872885
2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol
CID 3664795
3,4-dibromo-6-methoxy-2-[2-(4-nitroanilino)ethyliminomethyl]phenol
CID 4230585
1,3-diethyl-6-hydroxy-5-[(2-methoxy-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione
CID 4624154
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
2,6-bis(diethylaminomethyl)-4-nitrophenol
CID 14293691

Frequently Asked Questions

What is the IUPAC name of 2-(ethyliminomethyl)-3-methoxy-5-nitrophenol?
The IUPAC name of 2-(ethyliminomethyl)-3-methoxy-5-nitrophenol (CID 136832689) is 2-(ethyliminomethyl)-3-methoxy-5-nitrophenol.
What is the SMILES notation for 2-(ethyliminomethyl)-3-methoxy-5-nitrophenol?
The canonical SMILES for 2-(ethyliminomethyl)-3-methoxy-5-nitrophenol is CC/N=C/c1c(O)cc([N+](=O)[O-])cc1OC.
What is the InChIKey of 2-(ethyliminomethyl)-3-methoxy-5-nitrophenol?
The InChIKey is GAALUPJMDSQWKZ-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-3-11-6-8-9(13)4-7(12(14)15)5-10(8)16-2/h4-6,13H,3H2,1-2H3/b11-6+.
What are the key properties of 2-(ethyliminomethyl)-3-methoxy-5-nitrophenol?
2-(ethyliminomethyl)-3-methoxy-5-nitrophenol has a molecular weight of 224.22 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyliminomethyl)-3-methoxy-5-nitrophenol is sourced from PubChem (CID 136832689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).