2-butyl-1-benzofuran-5-carbonitrile

C13H13NO — CID 69361525

IUPAC2-butyl-1-benzofuran-5-carbonitrile
SMILESCCCCc1cc2cc(C#N)ccc2o1
InChIInChI=1S/C13H13NO/c1-2-3-4-12-8-11-7-10(9-14)5-6-13(11)15-12/h5-8H,2-4H2,1H3
InChIKeyNOMCIGFFNJKILH-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.65
Rot. Bonds3

About 2-butyl-1-benzofuran-5-carbonitrile

2-butyl-1-benzofuran-5-carbonitrile (PubChem CID 69361525) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-butyl-1-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name2-butyl-1-benzofuran-5-carbonitrile
PubChem CID69361525
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-butyl-1-benzofuran-5-carbonitrile
SMILESCCCCc1cc2cc(C#N)ccc2o1
InChIInChI=1S/C13H13NO/c1-2-3-4-12-8-11-7-10(9-14)5-6-13(11)15-12/h5-8H,2-4H2,1H3
InChIKeyNOMCIGFFNJKILH-UHFFFAOYSA-N
XLogP3.65
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-benzofuran-5-carbonitrile?
The IUPAC name of 2-butyl-1-benzofuran-5-carbonitrile (CID 69361525) is 2-butyl-1-benzofuran-5-carbonitrile.
What is the SMILES notation for 2-butyl-1-benzofuran-5-carbonitrile?
The canonical SMILES for 2-butyl-1-benzofuran-5-carbonitrile is CCCCc1cc2cc(C#N)ccc2o1.
What is the InChIKey of 2-butyl-1-benzofuran-5-carbonitrile?
The InChIKey is NOMCIGFFNJKILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-3-4-12-8-11-7-10(9-14)5-6-13(11)15-12/h5-8H,2-4H2,1H3.
What are the key properties of 2-butyl-1-benzofuran-5-carbonitrile?
2-butyl-1-benzofuran-5-carbonitrile has a molecular weight of 199.25 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-benzofuran-5-carbonitrile is sourced from PubChem (CID 69361525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).