(NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine

C10H12N2O4 — CID 10242718

IUPAC(NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine
SMILESCOCc1cccc(C/C=N/O)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-16-7-9-4-2-3-8(5-6-11-13)10(9)12(14)15/h2-4,6,13H,5,7H2,1H3/b11-6+
InChIKeyMBCJZESALWBYTQ-IZZDOVSWSA-N
MW224.22 g/mol
LogP1.74
Rot. Bonds5

About (NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine

(NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine (PubChem CID 10242718) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine
PubChem CID10242718
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine
SMILESCOCc1cccc(C/C=N/O)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-16-7-9-4-2-3-8(5-6-11-13)10(9)12(14)15/h2-4,6,13H,5,7H2,1H3/b11-6+
InChIKeyMBCJZESALWBYTQ-IZZDOVSWSA-N
XLogP1.74
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.74
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine (CID 10242718) is (NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine is COCc1cccc(C/C=N/O)c1[N+](=O)[O-].
What is the InChIKey of (NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine?
The InChIKey is MBCJZESALWBYTQ-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-16-7-9-4-2-3-8(5-6-11-13)10(9)12(14)15/h2-4,6,13H,5,7H2,1H3/b11-6+.
What are the key properties of (NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine?
(NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine has a molecular weight of 224.22 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[3-(methoxymethyl)-2-nitrophenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 10242718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).