1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one

C12H22N2O2 — CID 90897281

IUPAC1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one
SMILESCC1=C(C)C(=O)N(CCCN(C)C)C(O)C1
InChIInChI=1S/C12H22N2O2/c1-9-8-11(15)14(12(16)10(9)2)7-5-6-13(3)4/h11,15H,5-8H2,1-4H3
InChIKeyWUHPSWAYXFDPEQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.83
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one

1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one (PubChem CID 90897281) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one
PubChem CID90897281
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one
SMILESCC1=C(C)C(=O)N(CCCN(C)C)C(O)C1
InChIInChI=1S/C12H22N2O2/c1-9-8-11(15)14(12(16)10(9)2)7-5-6-13(3)4/h11,15H,5-8H2,1-4H3
InChIKeyWUHPSWAYXFDPEQ-UHFFFAOYSA-N
XLogP0.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one (CID 90897281) is 1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one is CC1=C(C)C(=O)N(CCCN(C)C)C(O)C1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one?
The InChIKey is WUHPSWAYXFDPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-8-11(15)14(12(16)10(9)2)7-5-6-13(3)4/h11,15H,5-8H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one?
1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one has a molecular weight of 226.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 90897281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).