4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one

C6H9NO2 — CID 142450912

IUPAC4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1CNC(=O)C=C1O
InChIInChI=1S/C6H9NO2/c1-4-3-7-6(9)2-5(4)8/h2,4,8H,3H2,1H3,(H,7,9)
InChIKeyJFYPCPNPNCNUBK-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.19
Rot. Bonds

About 4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one

4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 142450912) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID142450912
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1CNC(=O)C=C1O
InChIInChI=1S/C6H9NO2/c1-4-3-7-6(9)2-5(4)8/h2,4,8H,3H2,1H3,(H,7,9)
InChIKeyJFYPCPNPNCNUBK-UHFFFAOYSA-N
XLogP0.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one (CID 142450912) is 4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one is CC1CNC(=O)C=C1O.
What is the InChIKey of 4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is JFYPCPNPNCNUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-3-7-6(9)2-5(4)8/h2,4,8H,3H2,1H3,(H,7,9).
What are the key properties of 4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one?
4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 127.14 g/mol, XLogP of 0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 142450912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).