3-amino-3-ethylpyrrolidine-2,5-dione

C6H10N2O2 — CID 58400390

IUPAC3-amino-3-ethylpyrrolidine-2,5-dione
SMILESCCC1(N)CC(=O)NC1=O
InChIInChI=1S/C6H10N2O2/c1-2-6(7)3-4(9)8-5(6)10/h2-3,7H2,1H3,(H,8,9,10)
InChIKeyKTDUDGMJOJAAMD-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.86
Rot. Bonds1

About 3-amino-3-ethylpyrrolidine-2,5-dione

3-amino-3-ethylpyrrolidine-2,5-dione (PubChem CID 58400390) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-amino-3-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-amino-3-ethylpyrrolidine-2,5-dione
PubChem CID58400390
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3-amino-3-ethylpyrrolidine-2,5-dione
SMILESCCC1(N)CC(=O)NC1=O
InChIInChI=1S/C6H10N2O2/c1-2-6(7)3-4(9)8-5(6)10/h2-3,7H2,1H3,(H,8,9,10)
InChIKeyKTDUDGMJOJAAMD-UHFFFAOYSA-N
XLogP-0.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
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-amino-3-ethylpyrrolidine-2,5-dione?
The IUPAC name of 3-amino-3-ethylpyrrolidine-2,5-dione (CID 58400390) is 3-amino-3-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-amino-3-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-amino-3-ethylpyrrolidine-2,5-dione is CCC1(N)CC(=O)NC1=O.
What is the InChIKey of 3-amino-3-ethylpyrrolidine-2,5-dione?
The InChIKey is KTDUDGMJOJAAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-6(7)3-4(9)8-5(6)10/h2-3,7H2,1H3,(H,8,9,10).
What are the key properties of 3-amino-3-ethylpyrrolidine-2,5-dione?
3-amino-3-ethylpyrrolidine-2,5-dione has a molecular weight of 142.16 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 58400390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).