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

C6H11NO2 — CID 23260922

IUPAC3-hydroxy-4,4-dimethylpyrrolidin-2-one
SMILESCC1(C)CNC(=O)C1O
InChIInChI=1S/C6H11NO2/c1-6(2)3-7-5(9)4(6)8/h4,8H,3H2,1-2H3,(H,7,9)
InChIKeyMDNZRLDTRBHRNK-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.50
Rot. Bonds

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

3-hydroxy-4,4-dimethylpyrrolidin-2-one (PubChem CID 23260922) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-hydroxy-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-4,4-dimethylpyrrolidin-2-one
PubChem CID23260922
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-hydroxy-4,4-dimethylpyrrolidin-2-one
SMILESCC1(C)CNC(=O)C1O
InChIInChI=1S/C6H11NO2/c1-6(2)3-7-5(9)4(6)8/h4,8H,3H2,1-2H3,(H,7,9)
InChIKeyMDNZRLDTRBHRNK-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 3-hydroxy-4,4-dimethylpyrrolidin-2-one?
The IUPAC name of 3-hydroxy-4,4-dimethylpyrrolidin-2-one (CID 23260922) is 3-hydroxy-4,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-4,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-4,4-dimethylpyrrolidin-2-one is CC1(C)CNC(=O)C1O.
What is the InChIKey of 3-hydroxy-4,4-dimethylpyrrolidin-2-one?
The InChIKey is MDNZRLDTRBHRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(2)3-7-5(9)4(6)8/h4,8H,3H2,1-2H3,(H,7,9).
What are the key properties of 3-hydroxy-4,4-dimethylpyrrolidin-2-one?
3-hydroxy-4,4-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 3-hydroxy-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 23260922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).