1,3-diethyl-3-methylpyrrolidine-2,5-dione

C9H15NO2 — CID 587997

IUPAC1,3-diethyl-3-methylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(C)(CC)C1=O
InChIInChI=1S/C9H15NO2/c1-4-9(3)6-7(11)10(5-2)8(9)12/h4-6H2,1-3H3
InChIKeyYLTFGXVYMJGZIT-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.18
Rot. Bonds2

About 1,3-diethyl-3-methylpyrrolidine-2,5-dione

1,3-diethyl-3-methylpyrrolidine-2,5-dione (PubChem CID 587997) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1,3-diethyl-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1,3-diethyl-3-methylpyrrolidine-2,5-dione
PubChem CID587997
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1,3-diethyl-3-methylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(C)(CC)C1=O
InChIInChI=1S/C9H15NO2/c1-4-9(3)6-7(11)10(5-2)8(9)12/h4-6H2,1-3H3
InChIKeyYLTFGXVYMJGZIT-UHFFFAOYSA-N
XLogP1.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-8-methyl-2,8-diazaspiro(4.5)decane-1,3-dione
CID 87934
2-Ethyl-8-methyl-2,8-diazaspiro(4,5)decane-1,3-dione hydrobromide
CID 87933
1-Pentyl-2,5-pyrrolidinedione
CID 79245
1-(2,2-Dimethylpropanoyl)pyrrolidin-2-one
CID 11008332
N-valeryl-pyrrolidone
CID 14811460
3-Ethyl-1,3-dimethyl-2,5-pyrrolidinedione
CID 26313
2-Azaspiro(4.4)nonane-1,3-dione, 2-propyl-
CID 56331
1,3,3-Trimethylpyrrolidine-2,5-dione
CID 12394576
1-Butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
3-Methyl-1-propylpyrrolidine-2,5-dione
CID 20696287
3-isopropyl-N-methylsuccinimide
CID 57959296
Diethyl-2-pyrrolidinone
CID 58939186

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1,3-diethyl-3-methylpyrrolidine-2,5-dione (CID 587997) is 1,3-diethyl-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1,3-diethyl-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1,3-diethyl-3-methylpyrrolidine-2,5-dione is CCN1C(=O)CC(C)(CC)C1=O.
What is the InChIKey of 1,3-diethyl-3-methylpyrrolidine-2,5-dione?
The InChIKey is YLTFGXVYMJGZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-9(3)6-7(11)10(5-2)8(9)12/h4-6H2,1-3H3.
What are the key properties of 1,3-diethyl-3-methylpyrrolidine-2,5-dione?
1,3-diethyl-3-methylpyrrolidine-2,5-dione has a molecular weight of 169.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 587997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).