2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile

C11H19N3O — CID 60699941

IUPAC2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile
SMILESCC(C#N)CN(C)CC(=O)N1CCCC1
InChIInChI=1S/C11H19N3O/c1-10(7-12)8-13(2)9-11(15)14-5-3-4-6-14/h10H,3-6,8-9H2,1-2H3
InChIKeyRAEYAOABWQJTPM-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.70
Rot. Bonds4

About 2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile

2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile (PubChem CID 60699941) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile
PubChem CID60699941
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile
SMILESCC(C#N)CN(C)CC(=O)N1CCCC1
InChIInChI=1S/C11H19N3O/c1-10(7-12)8-13(2)9-11(15)14-5-3-4-6-14/h10H,3-6,8-9H2,1-2H3
InChIKeyRAEYAOABWQJTPM-UHFFFAOYSA-N
XLogP0.70
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62332976
N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide
CID 78969862
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile
CID 62051687
3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile
CID 63915190
3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile
CID 102562528
3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile
CID 54940259
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide
CID 60730410
N-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-ylacetamide
CID 113158106
3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 55028667
2-methyl-3-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007832
2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 62332786

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile (CID 60699941) is 2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile is CC(C#N)CN(C)CC(=O)N1CCCC1.
What is the InChIKey of 2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile?
The InChIKey is RAEYAOABWQJTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(7-12)8-13(2)9-11(15)14-5-3-4-6-14/h10H,3-6,8-9H2,1-2H3.
What are the key properties of 2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile?
2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile has a molecular weight of 209.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile is sourced from PubChem (CID 60699941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).