2-methyl-2-propan-2-ylpyrrolidin-3-one

C8H15NO — CID 58238961

IUPAC2-methyl-2-propan-2-ylpyrrolidin-3-one
SMILESCC(C)C1(C)NCCC1=O
InChIInChI=1S/C8H15NO/c1-6(2)8(3)7(10)4-5-9-8/h6,9H,4-5H2,1-3H3
InChIKeyWOACAIMARQUZPY-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.96
Rot. Bonds1

About 2-methyl-2-propan-2-ylpyrrolidin-3-one

2-methyl-2-propan-2-ylpyrrolidin-3-one (PubChem CID 58238961) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methyl-2-propan-2-ylpyrrolidin-3-one.

Molecular Properties

Compound Name2-methyl-2-propan-2-ylpyrrolidin-3-one
PubChem CID58238961
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methyl-2-propan-2-ylpyrrolidin-3-one
SMILESCC(C)C1(C)NCCC1=O
InChIInChI=1S/C8H15NO/c1-6(2)8(3)7(10)4-5-9-8/h6,9H,4-5H2,1-3H3
InChIKeyWOACAIMARQUZPY-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.96
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
5,5-Dimethylpyrrolidin-3-one
CID 55300602
1-(3-Fluoropyrrolidin-3-yl)-2-methylpropan-1-one
CID 149226784
1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]ethanone
CID 177059226
(5R)-5-propan-2-ylpyrrolidin-3-one
CID 11480449
1-(4-Methylpyrrolidin-3-yl)ethan-1-one
CID 18723467
2-Methyl-5-propan-2-ylpyrrolidin-3-one
CID 20641592
1,2-Dimethyl-4-azaspiro[2.4]heptan-7-one
CID 20774453
1-(4-Methylpyrrolidin-2-yl)ethanone
CID 21344986
4-Ethylpyrrolidin-3-one
CID 23176409
2-Methyl-1-(3-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 23560097

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-ylpyrrolidin-3-one?
The IUPAC name of 2-methyl-2-propan-2-ylpyrrolidin-3-one (CID 58238961) is 2-methyl-2-propan-2-ylpyrrolidin-3-one.
What is the SMILES notation for 2-methyl-2-propan-2-ylpyrrolidin-3-one?
The canonical SMILES for 2-methyl-2-propan-2-ylpyrrolidin-3-one is CC(C)C1(C)NCCC1=O.
What is the InChIKey of 2-methyl-2-propan-2-ylpyrrolidin-3-one?
The InChIKey is WOACAIMARQUZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)8(3)7(10)4-5-9-8/h6,9H,4-5H2,1-3H3.
What are the key properties of 2-methyl-2-propan-2-ylpyrrolidin-3-one?
2-methyl-2-propan-2-ylpyrrolidin-3-one has a molecular weight of 141.21 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-ylpyrrolidin-3-one is sourced from PubChem (CID 58238961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).