5,5-dimethylpyrrolidin-3-one

C6H11NO — CID 55300602

IUPAC5,5-dimethylpyrrolidin-3-one
SMILESCC1(C)CC(=O)CN1
InChIInChI=1S/C6H11NO/c1-6(2)3-5(8)4-7-6/h7H,3-4H2,1-2H3
InChIKeyZTXSXVWHVLDJQB-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.33
Rot. Bonds

About 5,5-dimethylpyrrolidin-3-one

5,5-dimethylpyrrolidin-3-one (PubChem CID 55300602) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 5,5-dimethylpyrrolidin-3-one.

Molecular Properties

Compound Name5,5-dimethylpyrrolidin-3-one
PubChem CID55300602
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name5,5-dimethylpyrrolidin-3-one
SMILESCC1(C)CC(=O)CN1
InChIInChI=1S/C6H11NO/c1-6(2)3-5(8)4-7-6/h7H,3-4H2,1-2H3
InChIKeyZTXSXVWHVLDJQB-UHFFFAOYSA-N
XLogP0.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,5,5-Tetramethylpyrrolidin-3-one
CID 12508987
5,5-Dimethylpyrrolidin-3-one hydrochloride
CID 71757523
2-Methylpyrrolidin-3-one
CID 22262513
1,5,5-Trimethylpyrrolidin-3-one
CID 21025953
1-(Tert-butylamino)-4-methylpentan-2-one
CID 2060483
2-Methylpyrrolidin-3-one hydrochloride
CID 115011292
5-Methylpyrrolidin-3-one hydrochloride
CID 115011293
(R)-5-Methylpyrrolidin-3-one hydrochloride
CID 162341971
5-Methylpyrrolidin-3-one
CID 20082658
(2R)-2-ethylpyrrolidin-3-one
CID 91064226
2-Methyl-2-(trifluoromethyl)pyrrolidin-3-one
CID 83826932
(5R)-5-propan-2-ylpyrrolidin-3-one
CID 11480449

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylpyrrolidin-3-one?
The IUPAC name of 5,5-dimethylpyrrolidin-3-one (CID 55300602) is 5,5-dimethylpyrrolidin-3-one.
What is the SMILES notation for 5,5-dimethylpyrrolidin-3-one?
The canonical SMILES for 5,5-dimethylpyrrolidin-3-one is CC1(C)CC(=O)CN1.
What is the InChIKey of 5,5-dimethylpyrrolidin-3-one?
The InChIKey is ZTXSXVWHVLDJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2)3-5(8)4-7-6/h7H,3-4H2,1-2H3.
What are the key properties of 5,5-dimethylpyrrolidin-3-one?
5,5-dimethylpyrrolidin-3-one has a molecular weight of 113.16 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylpyrrolidin-3-one is sourced from PubChem (CID 55300602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).