3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile

C15H17N3O — CID 62035138

IUPAC3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile
SMILESCCN(CCC#N)CC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3O/c1-2-18(9-5-8-16)11-15(19)13-10-17-14-7-4-3-6-12(13)14/h3-4,6-7,10,17H,2,5,9,11H2,1H3
InChIKeySQCLJGBHNYFFQI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.59
Rot. Bonds6

About 3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile

3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile (PubChem CID 62035138) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile
PubChem CID62035138
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile
SMILESCCN(CCC#N)CC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3O/c1-2-18(9-5-8-16)11-15(19)13-10-17-14-7-4-3-6-12(13)14/h3-4,6-7,10,17H,2,5,9,11H2,1H3
InChIKeySQCLJGBHNYFFQI-UHFFFAOYSA-N
XLogP2.59
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile
CID 62035714
3-[2-(1H-indol-3-yl)-2-oxoethyl]sulfonylpropanenitrile
CID 82531670
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 107481244
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 904242
1-(1H-indol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61036275
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128
3-[[2-(2,4-difluorophenyl)-2-oxoethyl]-ethylamino]propanenitrile
CID 62035136
ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate
CID 56526195
2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47077973

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile?
The IUPAC name of 3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile (CID 62035138) is 3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile?
The canonical SMILES for 3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile is CCN(CCC#N)CC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile?
The InChIKey is SQCLJGBHNYFFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-18(9-5-8-16)11-15(19)13-10-17-14-7-4-3-6-12(13)14/h3-4,6-7,10,17H,2,5,9,11H2,1H3.
What are the key properties of 3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile?
3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile has a molecular weight of 255.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile is sourced from PubChem (CID 62035138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).