(5-methanimidoylfuran-2-yl)methanimine

C6H6N2O — CID 90104564

IUPAC(5-methanimidoylfuran-2-yl)methanimine
SMILES[H]/N=C/c1ccc(/C=N/[H])o1
InChIInChI=1S/C6H6N2O/c7-3-5-1-2-6(4-8)9-5/h1-4,7-8H/b7-3+,8-4+
InChIKeySGQPOYXCPOTSRA-FCXRPNKRSA-N
MW122.13 g/mol
LogP1.27
Rot. Bonds2

About (5-methanimidoylfuran-2-yl)methanimine

(5-methanimidoylfuran-2-yl)methanimine (PubChem CID 90104564) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is (5-methanimidoylfuran-2-yl)methanimine.

Molecular Properties

Compound Name(5-methanimidoylfuran-2-yl)methanimine
PubChem CID90104564
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name(5-methanimidoylfuran-2-yl)methanimine
SMILES[H]/N=C/c1ccc(/C=N/[H])o1
InChIInChI=1S/C6H6N2O/c7-3-5-1-2-6(4-8)9-5/h1-4,7-8H/b7-3+,8-4+
InChIKeySGQPOYXCPOTSRA-FCXRPNKRSA-N
XLogP1.27
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (5-methanimidoylfuran-2-yl)methanimine?
The IUPAC name of (5-methanimidoylfuran-2-yl)methanimine (CID 90104564) is (5-methanimidoylfuran-2-yl)methanimine.
What is the SMILES notation for (5-methanimidoylfuran-2-yl)methanimine?
The canonical SMILES for (5-methanimidoylfuran-2-yl)methanimine is [H]/N=C/c1ccc(/C=N/[H])o1.
What is the InChIKey of (5-methanimidoylfuran-2-yl)methanimine?
The InChIKey is SGQPOYXCPOTSRA-FCXRPNKRSA-N. The full InChI is InChI=1S/C6H6N2O/c7-3-5-1-2-6(4-8)9-5/h1-4,7-8H/b7-3+,8-4+.
What are the key properties of (5-methanimidoylfuran-2-yl)methanimine?
(5-methanimidoylfuran-2-yl)methanimine has a molecular weight of 122.13 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methanimidoylfuran-2-yl)methanimine is sourced from PubChem (CID 90104564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).