4-hydroxy-3,4-dimethylpyrrolidin-2-one

C6H11NO2 — CID 55286568

IUPAC4-hydroxy-3,4-dimethylpyrrolidin-2-one
SMILESCC1C(=O)NCC1(C)O
InChIInChI=1S/C6H11NO2/c1-4-5(8)7-3-6(4,2)9/h4,9H,3H2,1-2H3,(H,7,8)
InChIKeyNYQWRGBWDSPDKJ-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.50
Rot. Bonds

About 4-hydroxy-3,4-dimethylpyrrolidin-2-one

4-hydroxy-3,4-dimethylpyrrolidin-2-one (PubChem CID 55286568) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-hydroxy-3,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-3,4-dimethylpyrrolidin-2-one
PubChem CID55286568
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name4-hydroxy-3,4-dimethylpyrrolidin-2-one
SMILESCC1C(=O)NCC1(C)O
InChIInChI=1S/C6H11NO2/c1-4-5(8)7-3-6(4,2)9/h4,9H,3H2,1-2H3,(H,7,8)
InChIKeyNYQWRGBWDSPDKJ-UHFFFAOYSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,4-dimethylpyrrolidin-2-one?
The IUPAC name of 4-hydroxy-3,4-dimethylpyrrolidin-2-one (CID 55286568) is 4-hydroxy-3,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-3,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-3,4-dimethylpyrrolidin-2-one is CC1C(=O)NCC1(C)O.
What is the InChIKey of 4-hydroxy-3,4-dimethylpyrrolidin-2-one?
The InChIKey is NYQWRGBWDSPDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-5(8)7-3-6(4,2)9/h4,9H,3H2,1-2H3,(H,7,8).
What are the key properties of 4-hydroxy-3,4-dimethylpyrrolidin-2-one?
4-hydroxy-3,4-dimethylpyrrolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 55286568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).