1,2-diethylindole-3-carbonitrile

C13H14N2 — CID 22689233

IUPAC1,2-diethylindole-3-carbonitrile
SMILESCCc1c(C#N)c2ccccc2n1CC
InChIInChI=1S/C13H14N2/c1-3-12-11(9-14)10-7-5-6-8-13(10)15(12)4-2/h5-8H,3-4H2,1-2H3
InChIKeyZSEZSFSBCUUQDX-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.10
Rot. Bonds2

About 1,2-diethylindole-3-carbonitrile

1,2-diethylindole-3-carbonitrile (PubChem CID 22689233) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1,2-diethylindole-3-carbonitrile.

Molecular Properties

Compound Name1,2-diethylindole-3-carbonitrile
PubChem CID22689233
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name1,2-diethylindole-3-carbonitrile
SMILESCCc1c(C#N)c2ccccc2n1CC
InChIInChI=1S/C13H14N2/c1-3-12-11(9-14)10-7-5-6-8-13(10)15(12)4-2/h5-8H,3-4H2,1-2H3
InChIKeyZSEZSFSBCUUQDX-UHFFFAOYSA-N
XLogP3.10
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-ethylindole-3-carbonitrile
CID 22689235
2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 118404976
2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile
CID 22689249
1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile
CID 22689252
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide
CID 58694045
2-(3-cyano-2-methylindol-1-yl)acetate
CID 6957155
2-(bromomethyl)-1-ethyl-6-methylindole-3-carbonitrile;1-ethyl-2,6-dimethylindole-3-carbonitrile
CID 123428403
2,5-bis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 139204592
4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile
CID 168942732
1-methyl-2-[(2-methylanilino)methyl]indole-3-carbonitrile
CID 748399
20-ethyl-2,4,10,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),5,7,9,12,14,16,18-nonaene-12-carbonitrile
CID 56965311
2-[(2-hydroxyanilino)methyl]-1-methylindole-3-carbonitrile
CID 739892

Frequently Asked Questions

What is the IUPAC name of 1,2-diethylindole-3-carbonitrile?
The IUPAC name of 1,2-diethylindole-3-carbonitrile (CID 22689233) is 1,2-diethylindole-3-carbonitrile.
What is the SMILES notation for 1,2-diethylindole-3-carbonitrile?
The canonical SMILES for 1,2-diethylindole-3-carbonitrile is CCc1c(C#N)c2ccccc2n1CC.
What is the InChIKey of 1,2-diethylindole-3-carbonitrile?
The InChIKey is ZSEZSFSBCUUQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-3-12-11(9-14)10-7-5-6-8-13(10)15(12)4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 1,2-diethylindole-3-carbonitrile?
1,2-diethylindole-3-carbonitrile has a molecular weight of 198.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylindole-3-carbonitrile is sourced from PubChem (CID 22689233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).