1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione

C9H16N2O2 — CID 547851

IUPAC1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione
SMILESCN(C)CCCN1C(=O)CCC1=O
InChIInChI=1S/C9H16N2O2/c1-10(2)6-3-7-11-8(12)4-5-9(11)13/h3-7H2,1-2H3
InChIKeyLZWQEHGYTVBAKQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.09
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione

1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione (PubChem CID 547851) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione
PubChem CID547851
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione
SMILESCN(C)CCCN1C(=O)CCC1=O
InChIInChI=1S/C9H16N2O2/c1-10(2)6-3-7-11-8(12)4-5-9(11)13/h3-7H2,1-2H3
InChIKeyLZWQEHGYTVBAKQ-UHFFFAOYSA-N
XLogP0.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione (CID 547851) is 1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione is CN(C)CCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione?
The InChIKey is LZWQEHGYTVBAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10(2)6-3-7-11-8(12)4-5-9(11)13/h3-7H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione?
1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 547851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).