1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one

C10H16N2O2 — CID 62962682

IUPAC1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one
SMILESCNCC(O)Cn1ccc(C)cc1=O
InChIInChI=1S/C10H16N2O2/c1-8-3-4-12(10(14)5-8)7-9(13)6-11-2/h3-5,9,11,13H,6-7H2,1-2H3
InChIKeyMSLDLHJMYAVCMX-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.26
Rot. Bonds4

About 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one

1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one (PubChem CID 62962682) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one
PubChem CID62962682
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one
SMILESCNCC(O)Cn1ccc(C)cc1=O
InChIInChI=1S/C10H16N2O2/c1-8-3-4-12(10(14)5-8)7-9(13)6-11-2/h3-5,9,11,13H,6-7H2,1-2H3
InChIKeyMSLDLHJMYAVCMX-UHFFFAOYSA-N
XLogP-0.26
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one (CID 62962682) is 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one is CNCC(O)Cn1ccc(C)cc1=O.
What is the InChIKey of 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one?
The InChIKey is MSLDLHJMYAVCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-3-4-12(10(14)5-8)7-9(13)6-11-2/h3-5,9,11,13H,6-7H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one?
1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one has a molecular weight of 196.25 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one is sourced from PubChem (CID 62962682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).