2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one

C13H20N2O2 — CID 126731271

IUPAC2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one
SMILESCc1[nH]cc(C(C)N2CCOCC2)c(=O)c1C
InChIInChI=1S/C13H20N2O2/c1-9-10(2)14-8-12(13(9)16)11(3)15-4-6-17-7-5-15/h8,11H,4-7H2,1-3H3,(H,14,16)
InChIKeyLYBYNLXLONDBFS-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.38
Rot. Bonds2

About 2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one

2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one (PubChem CID 126731271) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one
PubChem CID126731271
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one
SMILESCc1[nH]cc(C(C)N2CCOCC2)c(=O)c1C
InChIInChI=1S/C13H20N2O2/c1-9-10(2)14-8-12(13(9)16)11(3)15-4-6-17-7-5-15/h8,11H,4-7H2,1-3H3,(H,14,16)
InChIKeyLYBYNLXLONDBFS-UHFFFAOYSA-N
XLogP1.38
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one?
The IUPAC name of 2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one (CID 126731271) is 2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one?
The canonical SMILES for 2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one is Cc1[nH]cc(C(C)N2CCOCC2)c(=O)c1C.
What is the InChIKey of 2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one?
The InChIKey is LYBYNLXLONDBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-10(2)14-8-12(13(9)16)11(3)15-4-6-17-7-5-15/h8,11H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one?
2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one has a molecular weight of 236.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one is sourced from PubChem (CID 126731271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).