4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile

C12H19N3O2 — CID 65301628

IUPAC4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile
SMILESCNC(C)(C#N)CCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C12H19N3O2/c1-11(2)7-9(16)15(10(11)17)6-5-12(3,8-13)14-4/h14H,5-7H2,1-4H3
InChIKeyXMOQJUXSIPQWPQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.66
Rot. Bonds4

About 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile

4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile (PubChem CID 65301628) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile
PubChem CID65301628
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile
SMILESCNC(C)(C#N)CCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C12H19N3O2/c1-11(2)7-9(16)15(10(11)17)6-5-12(3,8-13)14-4/h14H,5-7H2,1-4H3
InChIKeyXMOQJUXSIPQWPQ-UHFFFAOYSA-N
XLogP0.66
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.66
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 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile?
The IUPAC name of 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile (CID 65301628) is 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile.
What is the SMILES notation for 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile?
The canonical SMILES for 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile is CNC(C)(C#N)CCN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile?
The InChIKey is XMOQJUXSIPQWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-11(2)7-9(16)15(10(11)17)6-5-12(3,8-13)14-4/h14H,5-7H2,1-4H3.
What are the key properties of 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile?
4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile has a molecular weight of 237.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile is sourced from PubChem (CID 65301628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).