(E)-N-methoxy-1-(2-nitrophenyl)ethanimine

C9H10N2O3 — CID 59571684

IUPAC(E)-N-methoxy-1-(2-nitrophenyl)ethanimine
SMILESCO/N=C(\C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3/c1-7(10-14-2)8-5-3-4-6-9(8)11(12)13/h3-6H,1-2H3/b10-7+
InChIKeyQQZUCOSFHHVUIH-JXMROGBWSA-N
MW194.19 g/mol
LogP1.97
Rot. Bonds3

About (E)-N-methoxy-1-(2-nitrophenyl)ethanimine

(E)-N-methoxy-1-(2-nitrophenyl)ethanimine (PubChem CID 59571684) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (E)-N-methoxy-1-(2-nitrophenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(2-nitrophenyl)ethanimine
PubChem CID59571684
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(E)-N-methoxy-1-(2-nitrophenyl)ethanimine
SMILESCO/N=C(\C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3/c1-7(10-14-2)8-5-3-4-6-9(8)11(12)13/h3-6H,1-2H3/b10-7+
InChIKeyQQZUCOSFHHVUIH-JXMROGBWSA-N
XLogP1.97
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-(2-nitrophenyl)ethanimine?
The IUPAC name of (E)-N-methoxy-1-(2-nitrophenyl)ethanimine (CID 59571684) is (E)-N-methoxy-1-(2-nitrophenyl)ethanimine.
What is the SMILES notation for (E)-N-methoxy-1-(2-nitrophenyl)ethanimine?
The canonical SMILES for (E)-N-methoxy-1-(2-nitrophenyl)ethanimine is CO/N=C(\C)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (E)-N-methoxy-1-(2-nitrophenyl)ethanimine?
The InChIKey is QQZUCOSFHHVUIH-JXMROGBWSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-7(10-14-2)8-5-3-4-6-9(8)11(12)13/h3-6H,1-2H3/b10-7+.
What are the key properties of (E)-N-methoxy-1-(2-nitrophenyl)ethanimine?
(E)-N-methoxy-1-(2-nitrophenyl)ethanimine has a molecular weight of 194.19 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(2-nitrophenyl)ethanimine is sourced from PubChem (CID 59571684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).