1-(2-ethylbutyl)indole-6-carbonitrile

C15H18N2 — CID 114015638

IUPAC1-(2-ethylbutyl)indole-6-carbonitrile
SMILESCCC(CC)Cn1ccc2ccc(C#N)cc21
InChIInChI=1S/C15H18N2/c1-3-12(4-2)11-17-8-7-14-6-5-13(10-16)9-15(14)17/h5-9,12H,3-4,11H2,1-2H3
InChIKeyHCGMKDTXZGJFTL-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.95
Rot. Bonds4

About 1-(2-ethylbutyl)indole-6-carbonitrile

1-(2-ethylbutyl)indole-6-carbonitrile (PubChem CID 114015638) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2-ethylbutyl)indole-6-carbonitrile.

Molecular Properties

Compound Name1-(2-ethylbutyl)indole-6-carbonitrile
PubChem CID114015638
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-(2-ethylbutyl)indole-6-carbonitrile
SMILESCCC(CC)Cn1ccc2ccc(C#N)cc21
InChIInChI=1S/C15H18N2/c1-3-12(4-2)11-17-8-7-14-6-5-13(10-16)9-15(14)17/h5-9,12H,3-4,11H2,1-2H3
InChIKeyHCGMKDTXZGJFTL-UHFFFAOYSA-N
XLogP3.95
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethanol;1-ethylindole-6-carbonitrile
CID 143239367
1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine
CID 82924593
cobalt;1-ethylindole-6-carbonitrile
CID 58657427
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
CID 107917142
1-(3-methyl-2-oxobutyl)indole-6-carbonitrile
CID 107916815
2-acetamido-3-(6-cyanoindol-1-yl)propanoic acid
CID 107916575
1-prop-2-enylindole-6-carbonitrile
CID 107917180
1-(2-oxopentyl)indole-6-carbonitrile
CID 107916852
1-(3-hydroxypropyl)indole-6-carbonitrile
CID 15490884
1-(2-propylsulfonylethyl)indole-6-carbonitrile
CID 107917116
2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide
CID 114015633
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile
CID 107917152

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)indole-6-carbonitrile?
The IUPAC name of 1-(2-ethylbutyl)indole-6-carbonitrile (CID 114015638) is 1-(2-ethylbutyl)indole-6-carbonitrile.
What is the SMILES notation for 1-(2-ethylbutyl)indole-6-carbonitrile?
The canonical SMILES for 1-(2-ethylbutyl)indole-6-carbonitrile is CCC(CC)Cn1ccc2ccc(C#N)cc21.
What is the InChIKey of 1-(2-ethylbutyl)indole-6-carbonitrile?
The InChIKey is HCGMKDTXZGJFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-12(4-2)11-17-8-7-14-6-5-13(10-16)9-15(14)17/h5-9,12H,3-4,11H2,1-2H3.
What are the key properties of 1-(2-ethylbutyl)indole-6-carbonitrile?
1-(2-ethylbutyl)indole-6-carbonitrile has a molecular weight of 226.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)indole-6-carbonitrile is sourced from PubChem (CID 114015638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).