2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile

C15H19N3O — CID 115130652

IUPAC2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile
SMILESCC(C#N)N1C(=O)Cc2cc(C(C)(C)CN)ccc21
InChIInChI=1S/C15H19N3O/c1-10(8-16)18-13-5-4-12(15(2,3)9-17)6-11(13)7-14(18)19/h4-6,10H,7,9,17H2,1-3H3
InChIKeyAODDVJIYSYDWCH-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.72
Rot. Bonds3

About 2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile

2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile (PubChem CID 115130652) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile
PubChem CID115130652
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile
SMILESCC(C#N)N1C(=O)Cc2cc(C(C)(C)CN)ccc21
InChIInChI=1S/C15H19N3O/c1-10(8-16)18-13-5-4-12(15(2,3)9-17)6-11(13)7-14(18)19/h4-6,10H,7,9,17H2,1-3H3
InChIKeyAODDVJIYSYDWCH-UHFFFAOYSA-N
XLogP1.72
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-amino-2-methylpropan-2-yl)-1-(2-chloroethyl)-3H-indol-2-one
CID 115215300
5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one
CID 115261432
5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one
CID 82289779
[2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea
CID 115168782
2-(1,3-dioxo-4H-isoquinolin-2-yl)propanenitrile
CID 55029145
5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one
CID 117040206
5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one
CID 115138116
3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid
CID 79829837
2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine
CID 143642288
3-(5-amino-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanenitrile
CID 115233774
7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 116994977
1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
CID 117039999

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile?
The IUPAC name of 2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile (CID 115130652) is 2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile.
What is the SMILES notation for 2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile?
The canonical SMILES for 2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile is CC(C#N)N1C(=O)Cc2cc(C(C)(C)CN)ccc21.
What is the InChIKey of 2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile?
The InChIKey is AODDVJIYSYDWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(8-16)18-13-5-4-12(15(2,3)9-17)6-11(13)7-14(18)19/h4-6,10H,7,9,17H2,1-3H3.
What are the key properties of 2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile?
2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile has a molecular weight of 257.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile is sourced from PubChem (CID 115130652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).