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

C7H11NO2 — CID 142451048

IUPAC5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1=C(O)C(=O)NCC1C
InChIInChI=1S/C7H11NO2/c1-4-3-8-7(10)6(9)5(4)2/h4,9H,3H2,1-2H3,(H,8,10)
InChIKeyQMKHCBJGQUDSTG-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.58
Rot. Bonds

About 5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one

5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 142451048) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID142451048
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1=C(O)C(=O)NCC1C
InChIInChI=1S/C7H11NO2/c1-4-3-8-7(10)6(9)5(4)2/h4,9H,3H2,1-2H3,(H,8,10)
InChIKeyQMKHCBJGQUDSTG-UHFFFAOYSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one (CID 142451048) is 5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one is CC1=C(O)C(=O)NCC1C.
What is the InChIKey of 5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is QMKHCBJGQUDSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-3-8-7(10)6(9)5(4)2/h4,9H,3H2,1-2H3,(H,8,10).
What are the key properties of 5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one?
5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 141.17 g/mol, XLogP of 0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 142451048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).