3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one

C7H13NO2 — CID 59203711

IUPAC3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one
SMILESCC1(C)CNC(=O)C1CO
InChIInChI=1S/C7H13NO2/c1-7(2)4-8-6(10)5(7)3-9/h5,9H,3-4H2,1-2H3,(H,8,10)
InChIKeyOYCQTOVZPKPUHP-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.25
Rot. Bonds1

About 3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one

3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one (PubChem CID 59203711) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one
PubChem CID59203711
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one
SMILESCC1(C)CNC(=O)C1CO
InChIInChI=1S/C7H13NO2/c1-7(2)4-8-6(10)5(7)3-9/h5,9H,3-4H2,1-2H3,(H,8,10)
InChIKeyOYCQTOVZPKPUHP-UHFFFAOYSA-N
XLogP-0.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one?
The IUPAC name of 3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one (CID 59203711) is 3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one is CC1(C)CNC(=O)C1CO.
What is the InChIKey of 3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one?
The InChIKey is OYCQTOVZPKPUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)4-8-6(10)5(7)3-9/h5,9H,3-4H2,1-2H3,(H,8,10).
What are the key properties of 3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one?
3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 59203711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).