4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one

C15H24N2O — CID 167762843

IUPAC4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one
SMILESCC(C)(C)c1ccn(CCC2CCNC2)c(=O)c1
InChIInChI=1S/C15H24N2O/c1-15(2,3)13-6-9-17(14(18)10-13)8-5-12-4-7-16-11-12/h6,9-10,12,16H,4-5,7-8,11H2,1-3H3
InChIKeyZZMJHAKRPMLEGV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds3

About 4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one

4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one (PubChem CID 167762843) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one
PubChem CID167762843
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one
SMILESCC(C)(C)c1ccn(CCC2CCNC2)c(=O)c1
InChIInChI=1S/C15H24N2O/c1-15(2,3)13-6-9-17(14(18)10-13)8-5-12-4-7-16-11-12/h6,9-10,12,16H,4-5,7-8,11H2,1-3H3
InChIKeyZZMJHAKRPMLEGV-UHFFFAOYSA-N
XLogP2.15
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-tert-butyl-2-methylphenyl)ethyl]pyrrolidine
CID 116925484
1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione
CID 105061168
4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208714
1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione
CID 115042065
1-(2-pyrrolidin-3-ylethyl)imidazolidin-2-one
CID 63624009
4-methyl-2-(2-pyrrolidin-3-ylethyl)-1,2,4-triazol-3-one
CID 130987404
4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 157238992
3-methyl-6-(2-pyrrolidin-3-ylethylamino)-1,3-benzoxazol-2-one
CID 115210603
1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one
CID 106637121
6-methyl-2-(2-piperidin-3-ylethyl)pyridazin-3-one
CID 62922662
4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 90038622
4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one
CID 79887369

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one?
The IUPAC name of 4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one (CID 167762843) is 4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one.
What is the SMILES notation for 4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one?
The canonical SMILES for 4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one is CC(C)(C)c1ccn(CCC2CCNC2)c(=O)c1.
What is the InChIKey of 4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one?
The InChIKey is ZZMJHAKRPMLEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)13-6-9-17(14(18)10-13)8-5-12-4-7-16-11-12/h6,9-10,12,16H,4-5,7-8,11H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one?
4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one has a molecular weight of 248.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one is sourced from PubChem (CID 167762843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).