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

C9H15NO2 — CID 142451039

IUPAC4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one
SMILESCCCC1CNC(=O)C(C)=C1O
InChIInChI=1S/C9H15NO2/c1-3-4-7-5-10-9(12)6(2)8(7)11/h7,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyYJABVTSPNDHAGT-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.36
Rot. Bonds2

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

4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 142451039) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID142451039
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one
SMILESCCCC1CNC(=O)C(C)=C1O
InChIInChI=1S/C9H15NO2/c1-3-4-7-5-10-9(12)6(2)8(7)11/h7,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyYJABVTSPNDHAGT-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one (CID 142451039) is 4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one is CCCC1CNC(=O)C(C)=C1O.
What is the InChIKey of 4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is YJABVTSPNDHAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-7-5-10-9(12)6(2)8(7)11/h7,11H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one?
4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 169.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 142451039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).