1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide

C9H12N2O3 — CID 6881174

IUPAC1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide
SMILESCC(C)(/C=N/O)/[N+]([O-])=C/c1ccco1
InChIInChI=1S/C9H12N2O3/c1-9(2,7-10-12)11(13)6-8-4-3-5-14-8/h3-7,12H,1-2H3/b10-7+,11-6-
InChIKeyNUEMJZBLMOBGHA-SJUGDSPGSA-N
MW196.21 g/mol
LogP1.45
Rot. Bonds3

About 1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide

1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide (PubChem CID 6881174) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide
PubChem CID6881174
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide
SMILESCC(C)(/C=N/O)/[N+]([O-])=C/c1ccco1
InChIInChI=1S/C9H12N2O3/c1-9(2,7-10-12)11(13)6-8-4-3-5-14-8/h3-7,12H,1-2H3/b10-7+,11-6-
InChIKeyNUEMJZBLMOBGHA-SJUGDSPGSA-N
XLogP1.45
TPSA71.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide 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 1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide?
The IUPAC name of 1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide (CID 6881174) is 1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide.
What is the SMILES notation for 1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide?
The canonical SMILES for 1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide is CC(C)(/C=N/O)/[N+]([O-])=C/c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide?
The InChIKey is NUEMJZBLMOBGHA-SJUGDSPGSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(2,7-10-12)11(13)6-8-4-3-5-14-8/h3-7,12H,1-2H3/b10-7+,11-6-.
What are the key properties of 1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide?
1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide has a molecular weight of 196.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide is sourced from PubChem (CID 6881174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).