2,2,5,5-tetramethylpyrrolidin-3-one

C8H15NO — CID 12508987

IUPAC2,2,5,5-tetramethylpyrrolidin-3-one
SMILESCC1(C)CC(=O)C(C)(C)N1
InChIInChI=1S/C8H15NO/c1-7(2)5-6(10)8(3,4)9-7/h9H,5H2,1-4H3
InChIKeyNQDVQRKVEZYOBD-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.11
Rot. Bonds

About 2,2,5,5-tetramethylpyrrolidin-3-one

2,2,5,5-tetramethylpyrrolidin-3-one (PubChem CID 12508987) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,2,5,5-tetramethylpyrrolidin-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethylpyrrolidin-3-one
PubChem CID12508987
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,2,5,5-tetramethylpyrrolidin-3-one
SMILESCC1(C)CC(=O)C(C)(C)N1
InChIInChI=1S/C8H15NO/c1-7(2)5-6(10)8(3,4)9-7/h9H,5H2,1-4H3
InChIKeyNQDVQRKVEZYOBD-UHFFFAOYSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethylpyrrolidin-3-one hydrochloride
CID 71757523
5,5-Dimethylpyrrolidin-3-one
CID 55300602
1-Chloro-2,2,5,5-tetramethylpyrrolidin-3-one
CID 14241393
2,2,5,5-Tetramethyl-1-oxidopyrrolidin-1-ium-3-one
CID 44344002
2-Methyl-2-propan-2-ylpyrrolidin-3-one
CID 58238961
2,2-Dimethylpyrrolidin-3-one
CID 68696697
2,2,5,5-Tetramethylpyrrolidine-3,4-dione
CID 69038766
2,2,5,5-Tetrakis(trideuteriomethyl)pyrrolidin-3-one
CID 88524596
5,5-Diethylpyrrolidin-3-one
CID 90917174
(2S)-2-methyl-2-propan-2-ylpyrrolidin-3-one
CID 117688935
2,2,5,5-Tetramethyl-1-oxidopyrrolidin-1-ium-3,4-dione
CID 141137338
2-Ethyl-2-methylpyrrolidin-3-one
CID 83826189

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethylpyrrolidin-3-one?
The IUPAC name of 2,2,5,5-tetramethylpyrrolidin-3-one (CID 12508987) is 2,2,5,5-tetramethylpyrrolidin-3-one.
What is the SMILES notation for 2,2,5,5-tetramethylpyrrolidin-3-one?
The canonical SMILES for 2,2,5,5-tetramethylpyrrolidin-3-one is CC1(C)CC(=O)C(C)(C)N1.
What is the InChIKey of 2,2,5,5-tetramethylpyrrolidin-3-one?
The InChIKey is NQDVQRKVEZYOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)5-6(10)8(3,4)9-7/h9H,5H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethylpyrrolidin-3-one?
2,2,5,5-tetramethylpyrrolidin-3-one has a molecular weight of 141.21 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethylpyrrolidin-3-one is sourced from PubChem (CID 12508987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).