1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione

C10H17N3O2 — CID 2860202

IUPAC1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
SMILESCN(C)N1C(=O)CC(N2CCCC2)C1=O
InChIInChI=1S/C10H17N3O2/c1-11(2)13-9(14)7-8(10(13)15)12-5-3-4-6-12/h8H,3-7H2,1-2H3
InChIKeyLZBJENBTIYAIIS-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.31
Rot. Bonds2

About 1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione

1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione (PubChem CID 2860202) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
PubChem CID2860202
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
SMILESCN(C)N1C(=O)CC(N2CCCC2)C1=O
InChIInChI=1S/C10H17N3O2/c1-11(2)13-9(14)7-8(10(13)15)12-5-3-4-6-12/h8H,3-7H2,1-2H3
InChIKeyLZBJENBTIYAIIS-UHFFFAOYSA-N
XLogP-0.31
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione (CID 2860202) is 1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione is CN(C)N1C(=O)CC(N2CCCC2)C1=O.
What is the InChIKey of 1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is LZBJENBTIYAIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-11(2)13-9(14)7-8(10(13)15)12-5-3-4-6-12/h8H,3-7H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2860202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).