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

C9H12N2O3 — CID 657496

IUPAC1-(furan-2-yl)-N-(1-hydroxyimino-2-methylpropan-2-yl)methanimine oxide
SMILESCC(C)(C=NO)[N+]([O-])=Cc1ccco1
InChIInChI=1S/C9H12N2O3/c1-9(2,7-10-12)11(13)6-8-4-3-5-14-8/h3-7,12H,1-2H3
InChIKeyNUEMJZBLMOBGHA-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.45
Rot. Bonds3

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

1-(furan-2-yl)-N-(1-hydroxyimino-2-methylpropan-2-yl)methanimine oxide (PubChem CID 657496) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(1-hydroxyimino-2-methylpropan-2-yl)methanimine oxide.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(1-hydroxyimino-2-methylpropan-2-yl)methanimine oxide
PubChem CID657496
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(furan-2-yl)-N-(1-hydroxyimino-2-methylpropan-2-yl)methanimine oxide
SMILESCC(C)(C=NO)[N+]([O-])=Cc1ccco1
InChIInChI=1S/C9H12N2O3/c1-9(2,7-10-12)11(13)6-8-4-3-5-14-8/h3-7,12H,1-2H3
InChIKeyNUEMJZBLMOBGHA-UHFFFAOYSA-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-(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

Related Compounds

1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide
CID 6881174
furan-2-carbaldehyde;nitromethane
CID 23020378
N-(1-hydroxyimino-2-methylpropan-2-yl)-1-(3-nitrophenyl)methanimine oxide
CID 3351502
CID 171377962
CID 171377962
1-(furan-2-yl)-N-[(2Z)-2-hydroxyimino-2-thiophen-2-ylethyl]methanimine oxide
CID 6340431
1-(furan-2-yl)-N-(2-nitro-1-phenylethyl)methanimine oxide
CID 10848905
1-(furan-2-yl)-N-oxidomethanimine
CID 135527449
N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine
CID 6926110
4-(furan-2-yl)-2-methylbut-3-en-2-ol
CID 71370744
1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide
CID 134996991
(Z)-3-(furan-2-yl)-2-nitroprop-2-enal
CID 59665521
(E)-1-(furan-2-yl)-N-trimethylsilylmethanimine
CID 10630921

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(1-hydroxyimino-2-methylpropan-2-yl)methanimine oxide?
The IUPAC name of 1-(furan-2-yl)-N-(1-hydroxyimino-2-methylpropan-2-yl)methanimine oxide (CID 657496) is 1-(furan-2-yl)-N-(1-hydroxyimino-2-methylpropan-2-yl)methanimine oxide.
What is the SMILES notation for 1-(furan-2-yl)-N-(1-hydroxyimino-2-methylpropan-2-yl)methanimine oxide?
The canonical SMILES for 1-(furan-2-yl)-N-(1-hydroxyimino-2-methylpropan-2-yl)methanimine oxide is CC(C)(C=NO)[N+]([O-])=Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-(1-hydroxyimino-2-methylpropan-2-yl)methanimine oxide?
The InChIKey is NUEMJZBLMOBGHA-UHFFFAOYSA-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.
What are the key properties of 1-(furan-2-yl)-N-(1-hydroxyimino-2-methylpropan-2-yl)methanimine oxide?
1-(furan-2-yl)-N-(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-(1-hydroxyimino-2-methylpropan-2-yl)methanimine oxide is sourced from PubChem (CID 657496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).