3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione

C7H11NO3 — CID 54322773

IUPAC3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)C(=O)NC(=O)C1O
InChIInChI=1S/C7H11NO3/c1-3-7(2)4(9)5(10)8-6(7)11/h4,9H,3H2,1-2H3,(H,8,10,11)
InChIKeySSUHRQWVHLYBBU-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.58
Rot. Bonds1

About 3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione

3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione (PubChem CID 54322773) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione
PubChem CID54322773
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)C(=O)NC(=O)C1O
InChIInChI=1S/C7H11NO3/c1-3-7(2)4(9)5(10)8-6(7)11/h4,9H,3H2,1-2H3,(H,8,10,11)
InChIKeySSUHRQWVHLYBBU-UHFFFAOYSA-N
XLogP-0.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.58
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-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione (CID 54322773) is 3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione is CCC1(C)C(=O)NC(=O)C1O.
What is the InChIKey of 3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione?
The InChIKey is SSUHRQWVHLYBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-7(2)4(9)5(10)8-6(7)11/h4,9H,3H2,1-2H3,(H,8,10,11).
What are the key properties of 3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione?
3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione has a molecular weight of 157.17 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 54322773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).