4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride

C11H17ClN2O2 — CID 86262221

IUPAC4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride
SMILESCc1cc(OCC2CNC2)cc(=O)n1C.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-8-3-10(4-11(14)13(8)2)15-7-9-5-12-6-9;/h3-4,9,12H,5-7H2,1-2H3;1H
InChIKeyXRPYPDCFTXVKRT-UHFFFAOYSA-N
MW244.72 g/mol
LogP0.71
Rot. Bonds3

About 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride

4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride (PubChem CID 86262221) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride
PubChem CID86262221
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride
SMILESCc1cc(OCC2CNC2)cc(=O)n1C.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-8-3-10(4-11(14)13(8)2)15-7-9-5-12-6-9;/h3-4,9,12H,5-7H2,1-2H3;1H
InChIKeyXRPYPDCFTXVKRT-UHFFFAOYSA-N
XLogP0.71
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 72716696
CID 72716696
CID 72716699
CID 72716699
CID 76145517
CID 76145517
CID 76145521
CID 76145521
CID 86262222
CID 86262222
CID 86262313
CID 86262313
CID 86262314
CID 86262314
CID 86262340
CID 86262340
CID 86262341
CID 86262341
CID 86262383
CID 86262383
CID 86262384
CID 86262384
CID 86262450
CID 86262450

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride?
The IUPAC name of 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride (CID 86262221) is 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride.
What is the SMILES notation for 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride?
The canonical SMILES for 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride is Cc1cc(OCC2CNC2)cc(=O)n1C.Cl.
What is the InChIKey of 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride?
The InChIKey is XRPYPDCFTXVKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-8-3-10(4-11(14)13(8)2)15-7-9-5-12-6-9;/h3-4,9,12H,5-7H2,1-2H3;1H.
What are the key properties of 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride?
4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one;hydrochloride is sourced from PubChem (CID 86262221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).