1-acetyl-3-methylpyrrolidine-2,5-dione;ethane

C11H21NO3 — CID 143333871

IUPAC1-acetyl-3-methylpyrrolidine-2,5-dione;ethane
SMILESCC.CC.CC(=O)N1C(=O)CC(C)C1=O
InChIInChI=1S/C7H9NO3.2C2H6/c1-4-3-6(10)8(5(2)9)7(4)11;2*1-2/h4H,3H2,1-2H3;2*1-2H3
InChIKeyDIEDCYUFNWDLFB-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.98
Rot. Bonds

About 1-acetyl-3-methylpyrrolidine-2,5-dione;ethane

1-acetyl-3-methylpyrrolidine-2,5-dione;ethane (PubChem CID 143333871) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-acetyl-3-methylpyrrolidine-2,5-dione;ethane.

Molecular Properties

Compound Name1-acetyl-3-methylpyrrolidine-2,5-dione;ethane
PubChem CID143333871
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-acetyl-3-methylpyrrolidine-2,5-dione;ethane
SMILESCC.CC.CC(=O)N1C(=O)CC(C)C1=O
InChIInChI=1S/C7H9NO3.2C2H6/c1-4-3-6(10)8(5(2)9)7(4)11;2*1-2/h4H,3H2,1-2H3;2*1-2H3
InChIKeyDIEDCYUFNWDLFB-UHFFFAOYSA-N
XLogP1.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.98
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

ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
CID 144871508
methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
CID 158098437
1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine
CID 158079923
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 58728330
1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(3-methyl-2,5-dioxopyrrolidin-1-yl) propanedioate
CID 126608619
ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide
CID 153342824
CID 161390149
CID 161390149
1,4,6-trimethyl-1,4-diazocane-5,8-dione
CID 118659197
(3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione
CID 59681935
2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid
CID 65266415
ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 145431015
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanethioamide
CID 61238117

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-methylpyrrolidine-2,5-dione;ethane?
The IUPAC name of 1-acetyl-3-methylpyrrolidine-2,5-dione;ethane (CID 143333871) is 1-acetyl-3-methylpyrrolidine-2,5-dione;ethane.
What is the SMILES notation for 1-acetyl-3-methylpyrrolidine-2,5-dione;ethane?
The canonical SMILES for 1-acetyl-3-methylpyrrolidine-2,5-dione;ethane is CC.CC.CC(=O)N1C(=O)CC(C)C1=O.
What is the InChIKey of 1-acetyl-3-methylpyrrolidine-2,5-dione;ethane?
The InChIKey is DIEDCYUFNWDLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3.2C2H6/c1-4-3-6(10)8(5(2)9)7(4)11;2*1-2/h4H,3H2,1-2H3;2*1-2H3.
What are the key properties of 1-acetyl-3-methylpyrrolidine-2,5-dione;ethane?
1-acetyl-3-methylpyrrolidine-2,5-dione;ethane has a molecular weight of 215.29 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-methylpyrrolidine-2,5-dione;ethane is sourced from PubChem (CID 143333871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).