1,2,2-trimethylpyrrolidin-3-one

C7H13NO — CID 12761486

IUPAC1,2,2-trimethylpyrrolidin-3-one
SMILESCN1CCC(=O)C1(C)C
InChIInChI=1S/C7H13NO/c1-7(2)6(9)4-5-8(7)3/h4-5H2,1-3H3
InChIKeyDWYFDOGPFCQTIE-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.67
Rot. Bonds

About 1,2,2-trimethylpyrrolidin-3-one

1,2,2-trimethylpyrrolidin-3-one (PubChem CID 12761486) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1,2,2-trimethylpyrrolidin-3-one.

Molecular Properties

Compound Name1,2,2-trimethylpyrrolidin-3-one
PubChem CID12761486
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1,2,2-trimethylpyrrolidin-3-one
SMILESCN1CCC(=O)C1(C)C
InChIInChI=1S/C7H13NO/c1-7(2)6(9)4-5-8(7)3/h4-5H2,1-3H3
InChIKeyDWYFDOGPFCQTIE-UHFFFAOYSA-N
XLogP0.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethylpyrrolidin-3-one
CID 55300602
1,5-Dimethylpyrrolidin-3-one
CID 21016055
1,5,5-Trimethylpyrrolidin-3-one
CID 21025953
1-Tert-butylpyrrolidin-3-one
CID 43314760
1,2-Dimethylpyrrolidin-3-one
CID 23131983
1-Hydroxy-5,5-dimethylpyrrolidin-3-one
CID 129746979
1-Ethyl-2,4,4-trimethylpyrrolidin-3-one
CID 130031773
1,2-Dimethyl-2-(trifluoromethyl)pyrrolidin-3-one
CID 83828303
4-Ethyl-1-methylpyrrolidin-3-one
CID 20697377
3-Methyl-3-(2,3,4-trimethylpyrrolidin-1-yl)butan-2-one
CID 20698780
1,4-Dimethylpyrrolidin-3-one
CID 20702319
1-(2-Methylbutan-2-yl)pyrrolidin-3-one
CID 43314833

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylpyrrolidin-3-one?
The IUPAC name of 1,2,2-trimethylpyrrolidin-3-one (CID 12761486) is 1,2,2-trimethylpyrrolidin-3-one.
What is the SMILES notation for 1,2,2-trimethylpyrrolidin-3-one?
The canonical SMILES for 1,2,2-trimethylpyrrolidin-3-one is CN1CCC(=O)C1(C)C.
What is the InChIKey of 1,2,2-trimethylpyrrolidin-3-one?
The InChIKey is DWYFDOGPFCQTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(2)6(9)4-5-8(7)3/h4-5H2,1-3H3.
What are the key properties of 1,2,2-trimethylpyrrolidin-3-one?
1,2,2-trimethylpyrrolidin-3-one has a molecular weight of 127.19 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylpyrrolidin-3-one is sourced from PubChem (CID 12761486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).