1-(furan-2-yl)-N-phenylmethanimine

C11H9NO — CID 682527

IUPAC1-(furan-2-yl)-N-phenylmethanimine
SMILESC(=N/c1ccccc1)\c1ccco1
InChIInChI=1S/C11H9NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h1-9H/b12-9+
InChIKeyPCDRATAUXKUHBS-FMIVXFBMSA-N
MW171.20 g/mol
LogP3.03
Rot. Bonds2

About 1-(furan-2-yl)-N-phenylmethanimine

1-(furan-2-yl)-N-phenylmethanimine (PubChem CID 682527) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-phenylmethanimine
PubChem CID682527
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name1-(furan-2-yl)-N-phenylmethanimine
SMILESC(=N/c1ccccc1)\c1ccco1
InChIInChI=1S/C11H9NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h1-9H/b12-9+
InChIKeyPCDRATAUXKUHBS-FMIVXFBMSA-N
XLogP3.03
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(furan-2-yl)-N-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-phenylmethanimine?
The IUPAC name of 1-(furan-2-yl)-N-phenylmethanimine (CID 682527) is 1-(furan-2-yl)-N-phenylmethanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-phenylmethanimine?
The canonical SMILES for 1-(furan-2-yl)-N-phenylmethanimine is C(=N/c1ccccc1)\c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-phenylmethanimine?
The InChIKey is PCDRATAUXKUHBS-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h1-9H/b12-9+.
What are the key properties of 1-(furan-2-yl)-N-phenylmethanimine?
1-(furan-2-yl)-N-phenylmethanimine has a molecular weight of 171.20 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-phenylmethanimine is sourced from PubChem (CID 682527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).