3-ethyl-3-hydroxypyrrolidine-2,5-dione

C6H9NO3 — CID 18504406

IUPAC3-ethyl-3-hydroxypyrrolidine-2,5-dione
SMILESCCC1(O)CC(=O)NC1=O
InChIInChI=1S/C6H9NO3/c1-2-6(10)3-4(8)7-5(6)9/h10H,2-3H2,1H3,(H,7,8,9)
InChIKeyRPCTYNXSSJMSMO-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.83
Rot. Bonds1

About 3-ethyl-3-hydroxypyrrolidine-2,5-dione

3-ethyl-3-hydroxypyrrolidine-2,5-dione (PubChem CID 18504406) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-ethyl-3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-hydroxypyrrolidine-2,5-dione
PubChem CID18504406
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-ethyl-3-hydroxypyrrolidine-2,5-dione
SMILESCCC1(O)CC(=O)NC1=O
InChIInChI=1S/C6H9NO3/c1-2-6(10)3-4(8)7-5(6)9/h10H,2-3H2,1H3,(H,7,8,9)
InChIKeyRPCTYNXSSJMSMO-UHFFFAOYSA-N
XLogP-0.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.83
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-3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-3-hydroxypyrrolidine-2,5-dione (CID 18504406) is 3-ethyl-3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-3-hydroxypyrrolidine-2,5-dione is CCC1(O)CC(=O)NC1=O.
What is the InChIKey of 3-ethyl-3-hydroxypyrrolidine-2,5-dione?
The InChIKey is RPCTYNXSSJMSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-6(10)3-4(8)7-5(6)9/h10H,2-3H2,1H3,(H,7,8,9).
What are the key properties of 3-ethyl-3-hydroxypyrrolidine-2,5-dione?
3-ethyl-3-hydroxypyrrolidine-2,5-dione has a molecular weight of 143.14 g/mol, XLogP of -0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 18504406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).