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

C15H12N2O3 — CID 10309

IUPAC1-(furan-2-yl)-N-[furan-2-yl-(furan-2-ylmethylideneamino)methyl]methanimine
SMILESC(=NC(N=Cc1ccco1)c1ccco1)c1ccco1
InChIInChI=1S/C15H12N2O3/c1-4-12(18-7-1)10-16-15(14-6-3-9-20-14)17-11-13-5-2-8-19-13/h1-11,15H
InChIKeyCYGDSXFTXXFMNI-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.70
Rot. Bonds5

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

1-(furan-2-yl)-N-[furan-2-yl-(furan-2-ylmethylideneamino)methyl]methanimine (PubChem CID 10309) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[furan-2-yl-(furan-2-ylmethylideneamino)methyl]methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[furan-2-yl-(furan-2-ylmethylideneamino)methyl]methanimine
PubChem CID10309
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name1-(furan-2-yl)-N-[furan-2-yl-(furan-2-ylmethylideneamino)methyl]methanimine
SMILESC(=NC(N=Cc1ccco1)c1ccco1)c1ccco1
InChIInChI=1S/C15H12N2O3/c1-4-12(18-7-1)10-16-15(14-6-3-9-20-14)17-11-13-5-2-8-19-13/h1-11,15H
InChIKeyCYGDSXFTXXFMNI-UHFFFAOYSA-N
XLogP3.70
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[furan-2-yl-(furan-2-ylmethylideneamino)methyl]methanimine?
The IUPAC name of 1-(furan-2-yl)-N-[furan-2-yl-(furan-2-ylmethylideneamino)methyl]methanimine (CID 10309) is 1-(furan-2-yl)-N-[furan-2-yl-(furan-2-ylmethylideneamino)methyl]methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-[furan-2-yl-(furan-2-ylmethylideneamino)methyl]methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-[furan-2-yl-(furan-2-ylmethylideneamino)methyl]methanimine is C(=NC(N=Cc1ccco1)c1ccco1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[furan-2-yl-(furan-2-ylmethylideneamino)methyl]methanimine?
The InChIKey is CYGDSXFTXXFMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-4-12(18-7-1)10-16-15(14-6-3-9-20-14)17-11-13-5-2-8-19-13/h1-11,15H.
What are the key properties of 1-(furan-2-yl)-N-[furan-2-yl-(furan-2-ylmethylideneamino)methyl]methanimine?
1-(furan-2-yl)-N-[furan-2-yl-(furan-2-ylmethylideneamino)methyl]methanimine has a molecular weight of 268.27 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[furan-2-yl-(furan-2-ylmethylideneamino)methyl]methanimine is sourced from PubChem (CID 10309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).