6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one

C11H17NO3 — CID 23338585

IUPAC6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one
SMILESCOCCCn1c(O)c(C)c(C)cc1=O
InChIInChI=1S/C11H17NO3/c1-8-7-10(13)12(5-4-6-15-3)11(14)9(8)2/h7,14H,4-6H2,1-3H3
InChIKeyCICCLOZINVZJCU-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.21
Rot. Bonds4

About 6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one

6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one (PubChem CID 23338585) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one
PubChem CID23338585
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one
SMILESCOCCCn1c(O)c(C)c(C)cc1=O
InChIInChI=1S/C11H17NO3/c1-8-7-10(13)12(5-4-6-15-3)11(14)9(8)2/h7,14H,4-6H2,1-3H3
InChIKeyCICCLOZINVZJCU-UHFFFAOYSA-N
XLogP1.21
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one?
The IUPAC name of 6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one (CID 23338585) is 6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one.
What is the SMILES notation for 6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one?
The canonical SMILES for 6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one is COCCCn1c(O)c(C)c(C)cc1=O.
What is the InChIKey of 6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one?
The InChIKey is CICCLOZINVZJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8-7-10(13)12(5-4-6-15-3)11(14)9(8)2/h7,14H,4-6H2,1-3H3.
What are the key properties of 6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one?
6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one has a molecular weight of 211.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one is sourced from PubChem (CID 23338585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).