3,3-diethyl-4-hydroxypyrrolidin-2-one

C8H15NO2 — CID 582235

IUPAC3,3-diethyl-4-hydroxypyrrolidin-2-one
SMILESCCC1(CC)C(=O)NCC1O
InChIInChI=1S/C8H15NO2/c1-3-8(4-2)6(10)5-9-7(8)11/h6,10H,3-5H2,1-2H3,(H,9,11)
InChIKeyZGYNOKFSGNSIPC-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.28
Rot. Bonds2

About 3,3-diethyl-4-hydroxypyrrolidin-2-one

3,3-diethyl-4-hydroxypyrrolidin-2-one (PubChem CID 582235) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3,3-diethyl-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name3,3-diethyl-4-hydroxypyrrolidin-2-one
PubChem CID582235
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3,3-diethyl-4-hydroxypyrrolidin-2-one
SMILESCCC1(CC)C(=O)NCC1O
InChIInChI=1S/C8H15NO2/c1-3-8(4-2)6(10)5-9-7(8)11/h6,10H,3-5H2,1-2H3,(H,9,11)
InChIKeyZGYNOKFSGNSIPC-UHFFFAOYSA-N
XLogP0.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-4-hydroxypyrrolidin-2-one?
The IUPAC name of 3,3-diethyl-4-hydroxypyrrolidin-2-one (CID 582235) is 3,3-diethyl-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 3,3-diethyl-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 3,3-diethyl-4-hydroxypyrrolidin-2-one is CCC1(CC)C(=O)NCC1O.
What is the InChIKey of 3,3-diethyl-4-hydroxypyrrolidin-2-one?
The InChIKey is ZGYNOKFSGNSIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-8(4-2)6(10)5-9-7(8)11/h6,10H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 3,3-diethyl-4-hydroxypyrrolidin-2-one?
3,3-diethyl-4-hydroxypyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 582235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).