5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

C14H21N3O — CID 117023330

IUPAC5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESCNCC1CC(=O)N(Cc2ccccn2)C1(C)C
InChIInChI=1S/C14H21N3O/c1-14(2)11(9-15-3)8-13(18)17(14)10-12-6-4-5-7-16-12/h4-7,11,15H,8-10H2,1-3H3
InChIKeyHTIOMSGWUQXFAO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.43
Rot. Bonds4

About 5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 117023330) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID117023330
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESCNCC1CC(=O)N(Cc2ccccn2)C1(C)C
InChIInChI=1S/C14H21N3O/c1-14(2)11(9-15-3)8-13(18)17(14)10-12-6-4-5-7-16-12/h4-7,11,15H,8-10H2,1-3H3
InChIKeyHTIOMSGWUQXFAO-UHFFFAOYSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 117022584
N-methyl-1-[1-(pyridin-2-ylmethyl)aziridin-2-yl]methanamine
CID 117010161
1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 117020753
3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 102582008
5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 117023339
3,3,6,6-tetramethyl-4-(pyridin-2-ylmethyl)-1,4-diazepan-5-one
CID 117023537
ethane;N-methyl-2-(methylamino)acetamide;5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbaldehyde
CID 170579237
[2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
CID 117017714
6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880504
3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326
4-ethynyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168501874
3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901135

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 117023330) is 5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is CNCC1CC(=O)N(Cc2ccccn2)C1(C)C.
What is the InChIKey of 5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is HTIOMSGWUQXFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2)11(9-15-3)8-13(18)17(14)10-12-6-4-5-7-16-12/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 117023330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).