2-ethyl-2-methylpyrrolidin-3-one

C7H13NO — CID 83826189

IUPAC2-ethyl-2-methylpyrrolidin-3-one
SMILESCCC1(C)NCCC1=O
InChIInChI=1S/C7H13NO/c1-3-7(2)6(9)4-5-8-7/h8H,3-5H2,1-2H3
InChIKeyDDQSRBZBEIOVQY-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.72
Rot. Bonds1

About 2-ethyl-2-methylpyrrolidin-3-one

2-ethyl-2-methylpyrrolidin-3-one (PubChem CID 83826189) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-ethyl-2-methylpyrrolidin-3-one.

Molecular Properties

Compound Name2-ethyl-2-methylpyrrolidin-3-one
PubChem CID83826189
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-ethyl-2-methylpyrrolidin-3-one
SMILESCCC1(C)NCCC1=O
InChIInChI=1S/C7H13NO/c1-3-7(2)6(9)4-5-8-7/h8H,3-5H2,1-2H3
InChIKeyDDQSRBZBEIOVQY-UHFFFAOYSA-N
XLogP0.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.72
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
5-Methylpyrrolidin-3-one
CID 20082658
1-(4,4-Difluoro-2-methylpyrrolidin-2-yl)ethanone
CID 89694688
2-Fluoro-5-azaspiro[3.4]octan-7-one
CID 171575152
(2R)-2-ethylpyrrolidin-3-one
CID 91064226
2-Methyl-2-(trifluoromethyl)pyrrolidin-3-one
CID 83826932
1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]ethanone
CID 177059226
(5R)-5-propan-2-ylpyrrolidin-3-one
CID 11480449
(5S)-5-methylpyrrolidin-3-one
CID 15474584
2-Amino-5,5-dimethylpyrrolidin-3-one
CID 17802160

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylpyrrolidin-3-one?
The IUPAC name of 2-ethyl-2-methylpyrrolidin-3-one (CID 83826189) is 2-ethyl-2-methylpyrrolidin-3-one.
What is the SMILES notation for 2-ethyl-2-methylpyrrolidin-3-one?
The canonical SMILES for 2-ethyl-2-methylpyrrolidin-3-one is CCC1(C)NCCC1=O.
What is the InChIKey of 2-ethyl-2-methylpyrrolidin-3-one?
The InChIKey is DDQSRBZBEIOVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-7(2)6(9)4-5-8-7/h8H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-2-methylpyrrolidin-3-one?
2-ethyl-2-methylpyrrolidin-3-one has a molecular weight of 127.19 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylpyrrolidin-3-one is sourced from PubChem (CID 83826189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).