3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile

C15H14N2O — CID 106886767

IUPAC3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(CNC3CC3)o2)c1
InChIInChI=1S/C15H14N2O/c16-9-11-2-1-3-12(8-11)15-7-6-14(18-15)10-17-13-4-5-13/h1-3,6-8,13,17H,4-5,10H2
InChIKeyVPFCXPVONGZADO-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.07
Rot. Bonds4

About 3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile

3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile (PubChem CID 106886767) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile
PubChem CID106886767
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(CNC3CC3)o2)c1
InChIInChI=1S/C15H14N2O/c16-9-11-2-1-3-12(8-11)15-7-6-14(18-15)10-17-13-4-5-13/h1-3,6-8,13,17H,4-5,10H2
InChIKeyVPFCXPVONGZADO-UHFFFAOYSA-N
XLogP3.07
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile 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 3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile?
The IUPAC name of 3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile (CID 106886767) is 3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile.
What is the SMILES notation for 3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile?
The canonical SMILES for 3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile is N#Cc1cccc(-c2ccc(CNC3CC3)o2)c1.
What is the InChIKey of 3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile?
The InChIKey is VPFCXPVONGZADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-9-11-2-1-3-12(8-11)15-7-6-14(18-15)10-17-13-4-5-13/h1-3,6-8,13,17H,4-5,10H2.
What are the key properties of 3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile?
3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile is sourced from PubChem (CID 106886767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).