N-benzyl-1-(furan-2-yl)methanimine

C12H11NO — CID 10241515

IUPACN-benzyl-1-(furan-2-yl)methanimine
SMILESC(=N/Cc1ccccc1)\c1ccco1
InChIInChI=1S/C12H11NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,10H,9H2/b13-10+
InChIKeyHIQCRUMEJZHNBX-JLHYYAGUSA-N
MW185.23 g/mol
LogP2.90
Rot. Bonds3

About N-benzyl-1-(furan-2-yl)methanimine

N-benzyl-1-(furan-2-yl)methanimine (PubChem CID 10241515) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is N-benzyl-1-(furan-2-yl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(furan-2-yl)methanimine
PubChem CID10241515
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC NameN-benzyl-1-(furan-2-yl)methanimine
SMILESC(=N/Cc1ccccc1)\c1ccco1
InChIInChI=1S/C12H11NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,10H,9H2/b13-10+
InChIKeyHIQCRUMEJZHNBX-JLHYYAGUSA-N
XLogP2.90
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.90
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 N-benzyl-1-(furan-2-yl)methanimine?
The IUPAC name of N-benzyl-1-(furan-2-yl)methanimine (CID 10241515) is N-benzyl-1-(furan-2-yl)methanimine.
What is the SMILES notation for N-benzyl-1-(furan-2-yl)methanimine?
The canonical SMILES for N-benzyl-1-(furan-2-yl)methanimine is C(=N/Cc1ccccc1)\c1ccco1.
What is the InChIKey of N-benzyl-1-(furan-2-yl)methanimine?
The InChIKey is HIQCRUMEJZHNBX-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H11NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,10H,9H2/b13-10+.
What are the key properties of N-benzyl-1-(furan-2-yl)methanimine?
N-benzyl-1-(furan-2-yl)methanimine has a molecular weight of 185.23 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(furan-2-yl)methanimine is sourced from PubChem (CID 10241515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).