3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile

C14H17N3O — CID 115231217

IUPAC3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile
SMILESCNCCc1ccc2c(c1)CC(=O)N2CCC#N
InChIInChI=1S/C14H17N3O/c1-16-7-5-11-3-4-13-12(9-11)10-14(18)17(13)8-2-6-15/h3-4,9,16H,2,5,7-8,10H2,1H3
InChIKeyBOFRYQBHYDXEQO-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.25
Rot. Bonds5

About 3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile

3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile (PubChem CID 115231217) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile
PubChem CID115231217
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile
SMILESCNCCc1ccc2c(c1)CC(=O)N2CCC#N
InChIInChI=1S/C14H17N3O/c1-16-7-5-11-3-4-13-12(9-11)10-14(18)17(13)8-2-6-15/h3-4,9,16H,2,5,7-8,10H2,1H3
InChIKeyBOFRYQBHYDXEQO-UHFFFAOYSA-N
XLogP1.25
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one
CID 115225243
1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115206096
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
4-(1-methyl-2-oxo-3H-indol-5-yl)butanenitrile
CID 82471108
1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115136265
1-[4-(methylamino)butyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115202033
1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115197456
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576
1,5-bis(methylaminomethyl)-3H-indol-2-one
CID 115226998
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 82471110
1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 115262042

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile?
The IUPAC name of 3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile (CID 115231217) is 3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile.
What is the SMILES notation for 3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile?
The canonical SMILES for 3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile is CNCCc1ccc2c(c1)CC(=O)N2CCC#N.
What is the InChIKey of 3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile?
The InChIKey is BOFRYQBHYDXEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-7-5-11-3-4-13-12(9-11)10-14(18)17(13)8-2-6-15/h3-4,9,16H,2,5,7-8,10H2,1H3.
What are the key properties of 3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile?
3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile has a molecular weight of 243.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile is sourced from PubChem (CID 115231217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).