4-(5-propan-2-ylfuran-2-yl)benzonitrile

C14H13NO — CID 126610108

IUPAC4-(5-propan-2-ylfuran-2-yl)benzonitrile
SMILESCC(C)c1ccc(-c2ccc(C#N)cc2)o1
InChIInChI=1S/C14H13NO/c1-10(2)13-7-8-14(16-13)12-5-3-11(9-15)4-6-12/h3-8,10H,1-2H3
InChIKeySMBAMZYZCJRVER-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.94
Rot. Bonds2

About 4-(5-propan-2-ylfuran-2-yl)benzonitrile

4-(5-propan-2-ylfuran-2-yl)benzonitrile (PubChem CID 126610108) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(5-propan-2-ylfuran-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-propan-2-ylfuran-2-yl)benzonitrile
PubChem CID126610108
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name4-(5-propan-2-ylfuran-2-yl)benzonitrile
SMILESCC(C)c1ccc(-c2ccc(C#N)cc2)o1
InChIInChI=1S/C14H13NO/c1-10(2)13-7-8-14(16-13)12-5-3-11(9-15)4-6-12/h3-8,10H,1-2H3
InChIKeySMBAMZYZCJRVER-UHFFFAOYSA-N
XLogP3.94
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(5-propan-2-ylfuran-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 4-(5-propan-2-ylfuran-2-yl)benzonitrile?
The IUPAC name of 4-(5-propan-2-ylfuran-2-yl)benzonitrile (CID 126610108) is 4-(5-propan-2-ylfuran-2-yl)benzonitrile.
What is the SMILES notation for 4-(5-propan-2-ylfuran-2-yl)benzonitrile?
The canonical SMILES for 4-(5-propan-2-ylfuran-2-yl)benzonitrile is CC(C)c1ccc(-c2ccc(C#N)cc2)o1.
What is the InChIKey of 4-(5-propan-2-ylfuran-2-yl)benzonitrile?
The InChIKey is SMBAMZYZCJRVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10(2)13-7-8-14(16-13)12-5-3-11(9-15)4-6-12/h3-8,10H,1-2H3.
What are the key properties of 4-(5-propan-2-ylfuran-2-yl)benzonitrile?
4-(5-propan-2-ylfuran-2-yl)benzonitrile has a molecular weight of 211.26 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-ylfuran-2-yl)benzonitrile is sourced from PubChem (CID 126610108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).