1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one

C9H14N2O2 — CID 23338583

IUPAC1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one
SMILESCc1cc(=O)n(CCN)c(O)c1C
InChIInChI=1S/C9H14N2O2/c1-6-5-8(12)11(4-3-10)9(13)7(6)2/h5,13H,3-4,10H2,1-2H3
InChIKeyPUBGUBMGAVJRFP-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.13
Rot. Bonds2

About 1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one

1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one (PubChem CID 23338583) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one
PubChem CID23338583
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one
SMILESCc1cc(=O)n(CCN)c(O)c1C
InChIInChI=1S/C9H14N2O2/c1-6-5-8(12)11(4-3-10)9(13)7(6)2/h5,13H,3-4,10H2,1-2H3
InChIKeyPUBGUBMGAVJRFP-UHFFFAOYSA-N
XLogP0.13
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one?
The IUPAC name of 1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one (CID 23338583) is 1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one is Cc1cc(=O)n(CCN)c(O)c1C.
What is the InChIKey of 1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one?
The InChIKey is PUBGUBMGAVJRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-5-8(12)11(4-3-10)9(13)7(6)2/h5,13H,3-4,10H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one?
1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one is sourced from PubChem (CID 23338583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).