1-acetyl-5,5-dimethylpyrrolidin-2-one

C8H13NO2 — CID 144885705

IUPAC1-acetyl-5,5-dimethylpyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1(C)C
InChIInChI=1S/C8H13NO2/c1-6(10)9-7(11)4-5-8(9,2)3/h4-5H2,1-3H3
InChIKeyYFLHFFPPTWPMGR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.93
Rot. Bonds

About 1-acetyl-5,5-dimethylpyrrolidin-2-one

1-acetyl-5,5-dimethylpyrrolidin-2-one (PubChem CID 144885705) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-acetyl-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-acetyl-5,5-dimethylpyrrolidin-2-one
PubChem CID144885705
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-acetyl-5,5-dimethylpyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1(C)C
InChIInChI=1S/C8H13NO2/c1-6(10)9-7(11)4-5-8(9,2)3/h4-5H2,1-3H3
InChIKeyYFLHFFPPTWPMGR-UHFFFAOYSA-N
XLogP0.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,2-dimethyl-5-oxopyrrolidine-1-carboxylate
CID 45122962
1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one
CID 140856572
2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid
CID 159584940
5,5-diethyl-1-propanoylpyrrolidin-2-one
CID 18325720
tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate
CID 58574724
1-hydroxy-5,5,6-trimethylpiperidin-2-one
CID 102314658
4-acetyl-5,5-dimethyl-3-methylidenemorpholin-2-one
CID 14069686
1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one
CID 71434771
1-acetyl-3,3-dimethylpyrrolidin-2-one
CID 175236752
acetic acid;5,5-dimethylazocane-2,8-dione
CID 175986885
1-butyl-5,5-dimethylpyrrolidin-2-one
CID 14887124
1,5-dihydroxy-5-methylpiperidin-2-one
CID 13423496

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 1-acetyl-5,5-dimethylpyrrolidin-2-one (CID 144885705) is 1-acetyl-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 1-acetyl-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-acetyl-5,5-dimethylpyrrolidin-2-one is CC(=O)N1C(=O)CCC1(C)C.
What is the InChIKey of 1-acetyl-5,5-dimethylpyrrolidin-2-one?
The InChIKey is YFLHFFPPTWPMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(10)9-7(11)4-5-8(9,2)3/h4-5H2,1-3H3.
What are the key properties of 1-acetyl-5,5-dimethylpyrrolidin-2-one?
1-acetyl-5,5-dimethylpyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 144885705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).