1,5,5-trimethylpyrrolidine-2,4-dione

C7H11NO2 — CID 14118376

IUPAC1,5,5-trimethylpyrrolidine-2,4-dione
SMILESCN1C(=O)CC(=O)C1(C)C
InChIInChI=1S/C7H11NO2/c1-7(2)5(9)4-6(10)8(7)3/h4H2,1-3H3
InChIKeyCRHAYGIHWLIQBI-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.20
Rot. Bonds

About 1,5,5-trimethylpyrrolidine-2,4-dione

1,5,5-trimethylpyrrolidine-2,4-dione (PubChem CID 14118376) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1,5,5-trimethylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name1,5,5-trimethylpyrrolidine-2,4-dione
PubChem CID14118376
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1,5,5-trimethylpyrrolidine-2,4-dione
SMILESCN1C(=O)CC(=O)C1(C)C
InChIInChI=1S/C7H11NO2/c1-7(2)5(9)4-6(10)8(7)3/h4H2,1-3H3
InChIKeyCRHAYGIHWLIQBI-UHFFFAOYSA-N
XLogP0.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine
CID 444570
1,5-Dimethylpyrrolidine-2,4-dione
CID 20669365
1-Methyl-5-(1-methylethyl)-2,4-pyrrolidinedione
CID 13197666
1-Tert-butylpyrrolidine-2,4-dione
CID 13801221
3-Acetyl-1-methylpyrrolidine-2,4-dione
CID 15088154
5,5-Dimethyl-1-(3-methylbutyl)pyrrolidine-2,4-dione
CID 165785121
(-)-(s)-1,5-Dimethylpyrrolidine-2,4-dione
CID 12182357
3-Acetyl-1,5,5-trimethylpyrrolidine-2,4-dione
CID 14118375
Athyl-methyl-pyrrolidindion
CID 129637160
3-Ethyl-1-propan-2-ylpyrrolidine-2,4-dione
CID 130027634
1-Tert-butyl-3-methylpyrrolidine-2,4-dione
CID 130032028
1-Propan-2-yl-3-propylpyrrolidine-2,4-dione
CID 139219076

Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethylpyrrolidine-2,4-dione?
The IUPAC name of 1,5,5-trimethylpyrrolidine-2,4-dione (CID 14118376) is 1,5,5-trimethylpyrrolidine-2,4-dione.
What is the SMILES notation for 1,5,5-trimethylpyrrolidine-2,4-dione?
The canonical SMILES for 1,5,5-trimethylpyrrolidine-2,4-dione is CN1C(=O)CC(=O)C1(C)C.
What is the InChIKey of 1,5,5-trimethylpyrrolidine-2,4-dione?
The InChIKey is CRHAYGIHWLIQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-7(2)5(9)4-6(10)8(7)3/h4H2,1-3H3.
What are the key properties of 1,5,5-trimethylpyrrolidine-2,4-dione?
1,5,5-trimethylpyrrolidine-2,4-dione has a molecular weight of 141.17 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethylpyrrolidine-2,4-dione is sourced from PubChem (CID 14118376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).