1-(furan-2-yl)-N-oxidomethanimine

C5H4NO2- — CID 135527449

IUPAC1-(furan-2-yl)-N-oxidomethanimine
SMILES[O-]N=Cc1ccco1
InChIInChI=1S/C5H5NO2/c7-6-4-5-2-1-3-8-5/h1-4,7H/p-1
InChIKeyUYTMLDBQFLIQJA-UHFFFAOYSA-M
MW110.09 g/mol
LogP1.20
Rot. Bonds1

About 1-(furan-2-yl)-N-oxidomethanimine

1-(furan-2-yl)-N-oxidomethanimine (PubChem CID 135527449) has the molecular formula C5H4NO2- and a molecular weight of 110.09 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-oxidomethanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-oxidomethanimine
PubChem CID135527449
Molecular FormulaC5H4NO2-
Molecular Weight110.09 g/mol
Exact Mass110.02
IUPAC Name1-(furan-2-yl)-N-oxidomethanimine
SMILES[O-]N=Cc1ccco1
InChIInChI=1S/C5H5NO2/c7-6-4-5-2-1-3-8-5/h1-4,7H/p-1
InChIKeyUYTMLDBQFLIQJA-UHFFFAOYSA-M
XLogP1.20
TPSA48.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.09
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
CID 10015655
(E)-1-(furan-2-yl)-N-trimethylsilylmethanimine
CID 10630921
1-(furan-2-yl)-N-hydroperoxymethanimine
CID 131862046
1-(furan-2-yl)-N-[(E)-prop-1-enyl]methanimine
CID 13128411
(E)-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanimine
CID 46707076
(NE)-N-(furan-2-ylmethylidene)propane-2-sulfinamide
CID 177399008
ethane;1-(furan-2-yl)-N-phenylmethanimine
CID 160534475
(E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine
CID 54606337
CID 171377962
CID 171377962
N'-[(E)-furan-2-ylmethylideneamino]methanediamine
CID 143034278
furan-2-carbaldehyde
CID 76972982
CID 58652123
CID 58652123

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-oxidomethanimine?
The IUPAC name of 1-(furan-2-yl)-N-oxidomethanimine (CID 135527449) is 1-(furan-2-yl)-N-oxidomethanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-oxidomethanimine?
The canonical SMILES for 1-(furan-2-yl)-N-oxidomethanimine is [O-]N=Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-oxidomethanimine?
The InChIKey is UYTMLDBQFLIQJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO2/c7-6-4-5-2-1-3-8-5/h1-4,7H/p-1.
What are the key properties of 1-(furan-2-yl)-N-oxidomethanimine?
1-(furan-2-yl)-N-oxidomethanimine has a molecular weight of 110.09 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-oxidomethanimine is sourced from PubChem (CID 135527449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).