4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one

C13H20N2O — CID 144730537

IUPAC4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one
SMILESC/C=C\n1c(NC)cc(C(C)(C)C)cc1=O
InChIInChI=1S/C13H20N2O/c1-6-7-15-11(14-5)8-10(9-12(15)16)13(2,3)4/h6-9,14H,1-5H3/b7-6-
InChIKeyGJZVUUJKRWTHNV-SREVYHEPSA-N
MW220.32 g/mol
LogP2.68
Rot. Bonds2

About 4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one

4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one (PubChem CID 144730537) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one.

Molecular Properties

Compound Name4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one
PubChem CID144730537
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one
SMILESC/C=C\n1c(NC)cc(C(C)(C)C)cc1=O
InChIInChI=1S/C13H20N2O/c1-6-7-15-11(14-5)8-10(9-12(15)16)13(2,3)4/h6-9,14H,1-5H3/b7-6-
InChIKeyGJZVUUJKRWTHNV-SREVYHEPSA-N
XLogP2.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Tert-butylpyridin-2-ol
CID 14543259
1-[Bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one
CID 102114437
1H-imidazo[2,1-a]isoquinolin-5-one
CID 54009795
2-tert-butyl-7-propan-2-yl-1H-imidazo[1,2-a]pyridin-5-one
CID 59533496
5-(2,2-Dimethylpropyl)-2-oxopyridine-1-carboxamide
CID 91507608
5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one
CID 142086971
3,5-dimethyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one
CID 144730475
N-[4-(1-aminoethyl)-1-methyl-2H-pyridin-6-yl]prop-2-enamide
CID 145659171
8-propan-2-yl-1H-imidazo[1,2-a]pyridin-5-one
CID 147743379
7-methyl-1H-imidazo[1,2-a]pyridin-5-one
CID 154953964
4-tert-butyl-1H-pyridin-2-one;ethane
CID 160791376
ethane;7-methyl-1H-imidazo[1,2-a]pyridin-5-one
CID 163302282

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one?
The IUPAC name of 4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one (CID 144730537) is 4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one.
What is the SMILES notation for 4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one?
The canonical SMILES for 4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one is C/C=C\n1c(NC)cc(C(C)(C)C)cc1=O.
What is the InChIKey of 4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one?
The InChIKey is GJZVUUJKRWTHNV-SREVYHEPSA-N. The full InChI is InChI=1S/C13H20N2O/c1-6-7-15-11(14-5)8-10(9-12(15)16)13(2,3)4/h6-9,14H,1-5H3/b7-6-.
What are the key properties of 4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one?
4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one is sourced from PubChem (CID 144730537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).