3-ethyl-3-hydroxypyrrolidin-2-one

C6H11NO2 — CID 123912122

IUPAC3-ethyl-3-hydroxypyrrolidin-2-one
SMILESCCC1(O)CCNC1=O
InChIInChI=1S/C6H11NO2/c1-2-6(9)3-4-7-5(6)8/h9H,2-4H2,1H3,(H,7,8)
InChIKeyVMLQZCSGDGGZNE-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.35
Rot. Bonds1

About 3-ethyl-3-hydroxypyrrolidin-2-one

3-ethyl-3-hydroxypyrrolidin-2-one (PubChem CID 123912122) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-ethyl-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-3-hydroxypyrrolidin-2-one
PubChem CID123912122
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-ethyl-3-hydroxypyrrolidin-2-one
SMILESCCC1(O)CCNC1=O
InChIInChI=1S/C6H11NO2/c1-2-6(9)3-4-7-5(6)8/h9H,2-4H2,1H3,(H,7,8)
InChIKeyVMLQZCSGDGGZNE-UHFFFAOYSA-N
XLogP-0.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxypyrrolidin-2-one?
The IUPAC name of 3-ethyl-3-hydroxypyrrolidin-2-one (CID 123912122) is 3-ethyl-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-3-hydroxypyrrolidin-2-one?
The canonical SMILES for 3-ethyl-3-hydroxypyrrolidin-2-one is CCC1(O)CCNC1=O.
What is the InChIKey of 3-ethyl-3-hydroxypyrrolidin-2-one?
The InChIKey is VMLQZCSGDGGZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-6(9)3-4-7-5(6)8/h9H,2-4H2,1H3,(H,7,8).
What are the key properties of 3-ethyl-3-hydroxypyrrolidin-2-one?
3-ethyl-3-hydroxypyrrolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 123912122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).