1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one

C10H20N2O — CID 117016892

IUPAC1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one
SMILESCN(C)CCN1CCC(=O)C1(C)C
InChIInChI=1S/C10H20N2O/c1-10(2)9(13)5-6-12(10)8-7-11(3)4/h5-8H2,1-4H3
InChIKeyAJHFFMAHJBBQON-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.60
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one

1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one (PubChem CID 117016892) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one
PubChem CID117016892
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one
SMILESCN(C)CCN1CCC(=O)C1(C)C
InChIInChI=1S/C10H20N2O/c1-10(2)9(13)5-6-12(10)8-7-11(3)4/h5-8H2,1-4H3
InChIKeyAJHFFMAHJBBQON-UHFFFAOYSA-N
XLogP0.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one
CID 117019112
1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one
CID 139401205
1-[10-(dimethylamino)decyl]pyrrolidine-2,5-dione
CID 70504867
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-amine
CID 117020090
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid
CID 117020325
1,2-diethyl-2,3,3-trimethylpiperidin-4-one
CID 70617371
1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione
CID 142676515
1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine
CID 117019273
1,3,3-trimethylpiperidine-2,4-dione
CID 21448626
(5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
CID 124510324
1-[2-(dimethylamino)ethyl]-5-oxo-4H-pyrazole-3-carboxylic acid
CID 62687669
2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one
CID 112533245

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one (CID 117016892) is 1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one is CN(C)CCN1CCC(=O)C1(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one?
The InChIKey is AJHFFMAHJBBQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2)9(13)5-6-12(10)8-7-11(3)4/h5-8H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one?
1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one has a molecular weight of 184.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2,2-dimethylpyrrolidin-3-one is sourced from PubChem (CID 117016892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).