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

C8H10N2O2 — CID 61121941

IUPAC2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile
SMILESCC1CC(=O)N(C(C)C#N)C1=O
InChIInChI=1S/C8H10N2O2/c1-5-3-7(11)10(8(5)12)6(2)4-9/h5-6H,3H2,1-2H3
InChIKeyZSQXQEGUDKWXOH-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.29
Rot. Bonds1

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

2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile (PubChem CID 61121941) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile
PubChem CID61121941
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile
SMILESCC1CC(=O)N(C(C)C#N)C1=O
InChIInChI=1S/C8H10N2O2/c1-5-3-7(11)10(8(5)12)6(2)4-9/h5-6H,3H2,1-2H3
InChIKeyZSQXQEGUDKWXOH-UHFFFAOYSA-N
XLogP0.29
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile
CID 61238282
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile
CID 61123330
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 58728330
1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione
CID 65191994
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanethioamide
CID 61238292
2-methyl-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanoic acid
CID 65284889
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
CID 61036813
2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile
CID 61121959
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid
CID 61036684
3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione
CID 167052357
2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)propanenitrile
CID 54904488
2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile
CID 62933976

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile?
The IUPAC name of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile (CID 61121941) is 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile.
What is the SMILES notation for 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile?
The canonical SMILES for 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile is CC1CC(=O)N(C(C)C#N)C1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile?
The InChIKey is ZSQXQEGUDKWXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-3-7(11)10(8(5)12)6(2)4-9/h5-6H,3H2,1-2H3.
What are the key properties of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile?
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile has a molecular weight of 166.18 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile is sourced from PubChem (CID 61121941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).