3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione

C11H15NO2 — CID 65297891

IUPAC3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione
SMILESC#CC(C)(C)N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C11H15NO2/c1-6-11(4,5)12-8(13)7-10(2,3)9(12)14/h1H,7H2,2-5H3
InChIKeyXYYLOLFCYGWAMN-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.18
Rot. Bonds1

About 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione

3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione (PubChem CID 65297891) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione
PubChem CID65297891
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione
SMILESC#CC(C)(C)N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C11H15NO2/c1-6-11(4,5)12-8(13)7-10(2,3)9(12)14/h1H,7H2,2-5H3
InChIKeyXYYLOLFCYGWAMN-UHFFFAOYSA-N
XLogP1.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione (CID 65297891) is 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione is C#CC(C)(C)N1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione?
The InChIKey is XYYLOLFCYGWAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-6-11(4,5)12-8(13)7-10(2,3)9(12)14/h1H,7H2,2-5H3.
What are the key properties of 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione?
3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 65297891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).