1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine

C16H12N2O2 — CID 10015655

IUPAC1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
SMILESC(=N/c1ccccc1/N=C/c1ccco1)\c1ccco1
InChIInChI=1S/C16H12N2O2/c1-2-8-16(18-12-14-6-4-10-20-14)15(7-1)17-11-13-5-3-9-19-13/h1-12H/b17-11+,18-12+
InChIKeyQBUWHHYUEUIEST-JYFOCSDGSA-N
MW264.28 g/mol
LogP4.37
Rot. Bonds4

About 1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine

1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine (PubChem CID 10015655) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
PubChem CID10015655
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
SMILESC(=N/c1ccccc1/N=C/c1ccco1)\c1ccco1
InChIInChI=1S/C16H12N2O2/c1-2-8-16(18-12-14-6-4-10-20-14)15(7-1)17-11-13-5-3-9-19-13/h1-12H/b17-11+,18-12+
InChIKeyQBUWHHYUEUIEST-JYFOCSDGSA-N
XLogP4.37
TPSA51.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine (CID 10015655) is 1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine is C(=N/c1ccccc1/N=C/c1ccco1)\c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine?
The InChIKey is QBUWHHYUEUIEST-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-2-8-16(18-12-14-6-4-10-20-14)15(7-1)17-11-13-5-3-9-19-13/h1-12H/b17-11+,18-12+.
What are the key properties of 1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine?
1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine has a molecular weight of 264.28 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine is sourced from PubChem (CID 10015655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).