3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile

C11H17N3O2 — CID 65301239

IUPAC3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)CN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C11H17N3O2/c1-10(2)5-8(15)14(9(10)16)7-11(3,6-12)13-4/h13H,5,7H2,1-4H3
InChIKeyAKVYDTVKKWDUTH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.27
Rot. Bonds3

About 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile

3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile (PubChem CID 65301239) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile
PubChem CID65301239
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)CN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C11H17N3O2/c1-10(2)5-8(15)14(9(10)16)7-11(3,6-12)13-4/h13H,5,7H2,1-4H3
InChIKeyAKVYDTVKKWDUTH-UHFFFAOYSA-N
XLogP0.27
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile?
The IUPAC name of 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile (CID 65301239) is 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile?
The canonical SMILES for 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile is CNC(C)(C#N)CN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile?
The InChIKey is AKVYDTVKKWDUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-10(2)5-8(15)14(9(10)16)7-11(3,6-12)13-4/h13H,5,7H2,1-4H3.
What are the key properties of 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile?
3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile has a molecular weight of 223.28 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 65301239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).