5-butyl-3-ethyl-1-benzofuran-2-carbonitrile

C15H17NO — CID 115493274

IUPAC5-butyl-3-ethyl-1-benzofuran-2-carbonitrile
SMILESCCCCc1ccc2oc(C#N)c(CC)c2c1
InChIInChI=1S/C15H17NO/c1-3-5-6-11-7-8-14-13(9-11)12(4-2)15(10-16)17-14/h7-9H,3-6H2,1-2H3
InChIKeyWRQOCZQHRXTONJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP4.21
Rot. Bonds4

About 5-butyl-3-ethyl-1-benzofuran-2-carbonitrile

5-butyl-3-ethyl-1-benzofuran-2-carbonitrile (PubChem CID 115493274) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-butyl-3-ethyl-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name5-butyl-3-ethyl-1-benzofuran-2-carbonitrile
PubChem CID115493274
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name5-butyl-3-ethyl-1-benzofuran-2-carbonitrile
SMILESCCCCc1ccc2oc(C#N)c(CC)c2c1
InChIInChI=1S/C15H17NO/c1-3-5-6-11-7-8-14-13(9-11)12(4-2)15(10-16)17-14/h7-9H,3-6H2,1-2H3
InChIKeyWRQOCZQHRXTONJ-UHFFFAOYSA-N
XLogP4.21
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine
CID 115493278
5-fluoro-3-propyl-1-benzofuran-2-carbonitrile
CID 62380864
3-tert-butyl-5-ethyl-1-benzofuran-2-carbonitrile
CID 63488699
2-dodecylxanthene-9-thione
CID 57217776
7-octyl-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 118285728
9-butylbenzo[c]chromen-6-one
CID 102375140
N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377629
5-chloro-3-(2-methylpropyl)-1-benzofuran-2-carbonitrile
CID 62380310
(5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine
CID 62381054
3-ethenyl-2,8-dioctyldibenzofuran
CID 68687499
6,15-dihexylpentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1,3(10),4(9),5,7,11,13(18),14,16-nonaene
CID 162784810
6-butyl-2-methylquinoline-4-carbonitrile
CID 82573302

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-ethyl-1-benzofuran-2-carbonitrile?
The IUPAC name of 5-butyl-3-ethyl-1-benzofuran-2-carbonitrile (CID 115493274) is 5-butyl-3-ethyl-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 5-butyl-3-ethyl-1-benzofuran-2-carbonitrile?
The canonical SMILES for 5-butyl-3-ethyl-1-benzofuran-2-carbonitrile is CCCCc1ccc2oc(C#N)c(CC)c2c1.
What is the InChIKey of 5-butyl-3-ethyl-1-benzofuran-2-carbonitrile?
The InChIKey is WRQOCZQHRXTONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-5-6-11-7-8-14-13(9-11)12(4-2)15(10-16)17-14/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-butyl-3-ethyl-1-benzofuran-2-carbonitrile?
5-butyl-3-ethyl-1-benzofuran-2-carbonitrile has a molecular weight of 227.31 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-ethyl-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 115493274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).