1-(furan-2-yl)-N-methylmethanimine oxide

C6H7NO2 — CID 11815864

IUPAC1-(furan-2-yl)-N-methylmethanimine oxide
SMILESC/[N+]([O-])=C/c1ccco1
InChIInChI=1S/C6H7NO2/c1-7(8)5-6-3-2-4-9-6/h2-5H,1H3/b7-5-
InChIKeyNJLFJRKNRYFXPS-ALCCZGGFSA-N
MW125.13 g/mol
LogP0.84
Rot. Bonds1

About 1-(furan-2-yl)-N-methylmethanimine oxide

1-(furan-2-yl)-N-methylmethanimine oxide (PubChem CID 11815864) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methylmethanimine oxide.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methylmethanimine oxide
PubChem CID11815864
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name1-(furan-2-yl)-N-methylmethanimine oxide
SMILESC/[N+]([O-])=C/c1ccco1
InChIInChI=1S/C6H7NO2/c1-7(8)5-6-3-2-4-9-6/h2-5H,1H3/b7-5-
InChIKeyNJLFJRKNRYFXPS-ALCCZGGFSA-N
XLogP0.84
TPSA39.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methylmethanimine oxide?
The IUPAC name of 1-(furan-2-yl)-N-methylmethanimine oxide (CID 11815864) is 1-(furan-2-yl)-N-methylmethanimine oxide.
What is the SMILES notation for 1-(furan-2-yl)-N-methylmethanimine oxide?
The canonical SMILES for 1-(furan-2-yl)-N-methylmethanimine oxide is C/[N+]([O-])=C/c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-methylmethanimine oxide?
The InChIKey is NJLFJRKNRYFXPS-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H7NO2/c1-7(8)5-6-3-2-4-9-6/h2-5H,1H3/b7-5-.
What are the key properties of 1-(furan-2-yl)-N-methylmethanimine oxide?
1-(furan-2-yl)-N-methylmethanimine oxide has a molecular weight of 125.13 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methylmethanimine oxide is sourced from PubChem (CID 11815864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).