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

C6H10ClNO3 — CID 118416333

IUPAC3-ethyl-3-hydroxypyrrolidine-2,5-dione;hydrochloride
SMILESCCC1(O)CC(=O)NC1=O.Cl
InChIInChI=1S/C6H9NO3.ClH/c1-2-6(10)3-4(8)7-5(6)9;/h10H,2-3H2,1H3,(H,7,8,9);1H
InChIKeyRBSOIXDTBHPVTL-UHFFFAOYSA-N
MW179.60 g/mol
LogP-0.40
Rot. Bonds1

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

3-ethyl-3-hydroxypyrrolidine-2,5-dione;hydrochloride (PubChem CID 118416333) has the molecular formula C6H10ClNO3 and a molecular weight of 179.60 g/mol. Its IUPAC name is 3-ethyl-3-hydroxypyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name3-ethyl-3-hydroxypyrrolidine-2,5-dione;hydrochloride
PubChem CID118416333
Molecular FormulaC6H10ClNO3
Molecular Weight179.60 g/mol
Exact Mass179.03
IUPAC Name3-ethyl-3-hydroxypyrrolidine-2,5-dione;hydrochloride
SMILESCCC1(O)CC(=O)NC1=O.Cl
InChIInChI=1S/C6H9NO3.ClH/c1-2-6(10)3-4(8)7-5(6)9;/h10H,2-3H2,1H3,(H,7,8,9);1H
InChIKeyRBSOIXDTBHPVTL-UHFFFAOYSA-N
XLogP-0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.60
LogP ≤ 5-0.40
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;hydrochloride?
The IUPAC name of 3-ethyl-3-hydroxypyrrolidine-2,5-dione;hydrochloride (CID 118416333) is 3-ethyl-3-hydroxypyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 3-ethyl-3-hydroxypyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 3-ethyl-3-hydroxypyrrolidine-2,5-dione;hydrochloride is CCC1(O)CC(=O)NC1=O.Cl.
What is the InChIKey of 3-ethyl-3-hydroxypyrrolidine-2,5-dione;hydrochloride?
The InChIKey is RBSOIXDTBHPVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3.ClH/c1-2-6(10)3-4(8)7-5(6)9;/h10H,2-3H2,1H3,(H,7,8,9);1H.
What are the key properties of 3-ethyl-3-hydroxypyrrolidine-2,5-dione;hydrochloride?
3-ethyl-3-hydroxypyrrolidine-2,5-dione;hydrochloride has a molecular weight of 179.60 g/mol, XLogP of -0.40, 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;hydrochloride is sourced from PubChem (CID 118416333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).