2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile

C11H17N3O2 — CID 65301971

IUPAC2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile
SMILESCC(N)(C#N)CCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C11H17N3O2/c1-10(2)6-8(15)14(9(10)16)5-4-11(3,13)7-12/h4-6,13H2,1-3H3
InChIKeyWWFHLEKJIDVMCJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.40
Rot. Bonds3

About 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile

2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile (PubChem CID 65301971) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile
PubChem CID65301971
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile
SMILESCC(N)(C#N)CCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C11H17N3O2/c1-10(2)6-8(15)14(9(10)16)5-4-11(3,13)7-12/h4-6,13H2,1-3H3
InChIKeyWWFHLEKJIDVMCJ-UHFFFAOYSA-N
XLogP0.40
TPSA87.19 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 ≤ 50.40
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 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile?
The IUPAC name of 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile (CID 65301971) is 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile.
What is the SMILES notation for 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile?
The canonical SMILES for 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile is CC(N)(C#N)CCN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile?
The InChIKey is WWFHLEKJIDVMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-10(2)6-8(15)14(9(10)16)5-4-11(3,13)7-12/h4-6,13H2,1-3H3.
What are the key properties of 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile?
2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile has a molecular weight of 223.28 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile is sourced from PubChem (CID 65301971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).