2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile

C15H19N3O — CID 115253922

IUPAC2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile
SMILESCCC(C#N)CN1C(=O)Cc2cc(CNC)ccc21
InChIInChI=1S/C15H19N3O/c1-3-11(8-16)10-18-14-5-4-12(9-17-2)6-13(14)7-15(18)19/h4-6,11,17H,3,7,9-10H2,1-2H3
InChIKeyDHACXAURXJLGKW-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.84
Rot. Bonds5

About 2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile

2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile (PubChem CID 115253922) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile.

Molecular Properties

Compound Name2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile
PubChem CID115253922
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile
SMILESCCC(C#N)CN1C(=O)Cc2cc(CNC)ccc21
InChIInChI=1S/C15H19N3O/c1-3-11(8-16)10-18-14-5-4-12(9-17-2)6-13(14)7-15(18)19/h4-6,11,17H,3,7,9-10H2,1-2H3
InChIKeyDHACXAURXJLGKW-UHFFFAOYSA-N
XLogP1.84
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-bis(methylaminomethyl)-3H-indol-2-one
CID 115226998
1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 115262042
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one
CID 115234861
1-[4-(methylamino)butyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115202033
1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
CID 115119844
3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile
CID 115231217
2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
CID 115218053
6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
CID 115234864
1-(4-aminophenyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 117041280
1-methyl-6-(methylaminomethyl)-3H-indol-2-one
CID 82603428
methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate
CID 115142469

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile?
The IUPAC name of 2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile (CID 115253922) is 2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile.
What is the SMILES notation for 2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile?
The canonical SMILES for 2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile is CCC(C#N)CN1C(=O)Cc2cc(CNC)ccc21.
What is the InChIKey of 2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile?
The InChIKey is DHACXAURXJLGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-11(8-16)10-18-14-5-4-12(9-17-2)6-13(14)7-15(18)19/h4-6,11,17H,3,7,9-10H2,1-2H3.
What are the key properties of 2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile?
2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile has a molecular weight of 257.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile is sourced from PubChem (CID 115253922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).