1-(furan-3-yl)-N-methylethanimine

C7H9NO — CID 15892472

IUPAC1-(furan-3-yl)-N-methylethanimine
SMILESC/N=C(\C)c1ccoc1
InChIInChI=1S/C7H9NO/c1-6(8-2)7-3-4-9-5-7/h3-5H,1-2H3/b8-6+
InChIKeyWXVMJKREXONRIY-SOFGYWHQSA-N
MW123.15 g/mol
LogP1.72
Rot. Bonds1

About 1-(furan-3-yl)-N-methylethanimine

1-(furan-3-yl)-N-methylethanimine (PubChem CID 15892472) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methylethanimine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methylethanimine
PubChem CID15892472
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1-(furan-3-yl)-N-methylethanimine
SMILESC/N=C(\C)c1ccoc1
InChIInChI=1S/C7H9NO/c1-6(8-2)7-3-4-9-5-7/h3-5H,1-2H3/b8-6+
InChIKeyWXVMJKREXONRIY-SOFGYWHQSA-N
XLogP1.72
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methylethanimine?
The IUPAC name of 1-(furan-3-yl)-N-methylethanimine (CID 15892472) is 1-(furan-3-yl)-N-methylethanimine.
What is the SMILES notation for 1-(furan-3-yl)-N-methylethanimine?
The canonical SMILES for 1-(furan-3-yl)-N-methylethanimine is C/N=C(\C)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-methylethanimine?
The InChIKey is WXVMJKREXONRIY-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9NO/c1-6(8-2)7-3-4-9-5-7/h3-5H,1-2H3/b8-6+.
What are the key properties of 1-(furan-3-yl)-N-methylethanimine?
1-(furan-3-yl)-N-methylethanimine has a molecular weight of 123.15 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methylethanimine is sourced from PubChem (CID 15892472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).