1-ethyl-3-(methylamino)pyrrolidine-2,5-dione

C7H12N2O2 — CID 43636114

IUPAC1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NC)C1=O
InChIInChI=1S/C7H12N2O2/c1-3-9-6(10)4-5(8-2)7(9)11/h5,8H,3-4H2,1-2H3
InChIKeyBACIIOKBVHERBH-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.65
Rot. Bonds2

About 1-ethyl-3-(methylamino)pyrrolidine-2,5-dione

1-ethyl-3-(methylamino)pyrrolidine-2,5-dione (PubChem CID 43636114) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-ethyl-3-(methylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
PubChem CID43636114
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NC)C1=O
InChIInChI=1S/C7H12N2O2/c1-3-9-6(10)4-5(8-2)7(9)11/h5,8H,3-4H2,1-2H3
InChIKeyBACIIOKBVHERBH-UHFFFAOYSA-N
XLogP-0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-3-(methylamino)pyrrolidine-2,5-dione
CID 58841268
3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione
CID 61168805
1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione
CID 106188044
1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione
CID 114095808
1-ethyl-3-[(3-methylcyclopentyl)amino]pyrrolidine-2,5-dione
CID 114545469
1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione
CID 80713003
1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione
CID 43636150
3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione
CID 61171064
1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione
CID 64656132
(3S)-3-(3,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 894359
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione
CID 43636258
1-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 54867303

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(methylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(methylamino)pyrrolidine-2,5-dione (CID 43636114) is 1-ethyl-3-(methylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(methylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(methylamino)pyrrolidine-2,5-dione is CCN1C(=O)CC(NC)C1=O.
What is the InChIKey of 1-ethyl-3-(methylamino)pyrrolidine-2,5-dione?
The InChIKey is BACIIOKBVHERBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-9-6(10)4-5(8-2)7(9)11/h5,8H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-3-(methylamino)pyrrolidine-2,5-dione?
1-ethyl-3-(methylamino)pyrrolidine-2,5-dione has a molecular weight of 156.19 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43636114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).