3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione

C9H16N2O2 — CID 58400391

IUPAC3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione
SMILESCCN(C)C1(CC)CC(=O)NC1=O
InChIInChI=1S/C9H16N2O2/c1-4-9(11(3)5-2)6-7(12)10-8(9)13/h4-6H2,1-3H3,(H,10,12,13)
InChIKeyFYDWQZCCZPIPMZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.13
Rot. Bonds3

About 3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione

3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione (PubChem CID 58400391) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione
PubChem CID58400391
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione
SMILESCCN(C)C1(CC)CC(=O)NC1=O
InChIInChI=1S/C9H16N2O2/c1-4-9(11(3)5-2)6-7(12)10-8(9)13/h4-6H2,1-3H3,(H,10,12,13)
InChIKeyFYDWQZCCZPIPMZ-UHFFFAOYSA-N
XLogP0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
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 3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione (CID 58400391) is 3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione is CCN(C)C1(CC)CC(=O)NC1=O.
What is the InChIKey of 3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione?
The InChIKey is FYDWQZCCZPIPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-9(11(3)5-2)6-7(12)10-8(9)13/h4-6H2,1-3H3,(H,10,12,13).
What are the key properties of 3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione?
3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[ethyl(methyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 58400391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).