1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione

C12H22N2O2 — CID 167599335

IUPAC1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione
SMILESCCN(CC)CCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-4-13(5-2)7-6-8-14-11(15)9-10(3)12(14)16/h10H,4-9H2,1-3H3
InChIKeyJMXJXJIZQXPYDL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.11
Rot. Bonds6

About 1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione

1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 167599335) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione
PubChem CID167599335
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione
SMILESCCN(CC)CCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-4-13(5-2)7-6-8-14-11(15)9-10(3)12(14)16/h10H,4-9H2,1-3H3
InChIKeyJMXJXJIZQXPYDL-UHFFFAOYSA-N
XLogP1.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.11
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-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione (CID 167599335) is 1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione is CCN(CC)CCCN1C(=O)CC(C)C1=O.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is JMXJXJIZQXPYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-13(5-2)7-6-8-14-11(15)9-10(3)12(14)16/h10H,4-9H2,1-3H3.
What are the key properties of 1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione?
1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 167599335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).