2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile

C11H16N2O2 — CID 61121959

IUPAC2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile
SMILESCCC(C#N)(CC)N1C(=O)CC(C)C1=O
InChIInChI=1S/C11H16N2O2/c1-4-11(5-2,7-12)13-9(14)6-8(3)10(13)15/h8H,4-6H2,1-3H3
InChIKeyNDOQKBZJTJYNOM-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.46
Rot. Bonds3

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

2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile (PubChem CID 61121959) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile
PubChem CID61121959
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile
SMILESCCC(C#N)(CC)N1C(=O)CC(C)C1=O
InChIInChI=1S/C11H16N2O2/c1-4-11(5-2,7-12)13-9(14)6-8(3)10(13)15/h8H,4-6H2,1-3H3
InChIKeyNDOQKBZJTJYNOM-UHFFFAOYSA-N
XLogP1.46
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)-2-ethylbutanenitrile
CID 103551844
2-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
CID 61036930
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile
CID 61123330
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile
CID 61238282
2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid
CID 65266415
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanenitrile
CID 61121941
1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione
CID 155472486
2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile
CID 75392464
(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
(3R)-3-methyl-1-prop-2-enylpyrrolidine-2,5-dione
CID 15757783
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
3-methyl-1-propylpyrrolidine-2,5-dione;nonane
CID 163913553

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile?
The IUPAC name of 2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile (CID 61121959) is 2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile.
What is the SMILES notation for 2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile?
The canonical SMILES for 2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile is CCC(C#N)(CC)N1C(=O)CC(C)C1=O.
What is the InChIKey of 2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile?
The InChIKey is NDOQKBZJTJYNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-11(5-2,7-12)13-9(14)6-8(3)10(13)15/h8H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile?
2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile has a molecular weight of 208.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile is sourced from PubChem (CID 61121959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).