5-(azetidin-3-yloxy)-1-methylpyridin-2-one

C9H12N2O2 — CID 141396401

IUPAC5-(azetidin-3-yloxy)-1-methylpyridin-2-one
SMILESCn1cc(OC2CNC2)ccc1=O
InChIInChI=1S/C9H12N2O2/c1-11-6-7(2-3-9(11)12)13-8-4-10-5-8/h2-3,6,8,10H,4-5H2,1H3
InChIKeyAIOBEEGOYRVBHD-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.26
Rot. Bonds2

About 5-(azetidin-3-yloxy)-1-methylpyridin-2-one

5-(azetidin-3-yloxy)-1-methylpyridin-2-one (PubChem CID 141396401) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-1-methylpyridin-2-one
PubChem CID141396401
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-(azetidin-3-yloxy)-1-methylpyridin-2-one
SMILESCn1cc(OC2CNC2)ccc1=O
InChIInChI=1S/C9H12N2O2/c1-11-6-7(2-3-9(11)12)13-8-4-10-5-8/h2-3,6,8,10H,4-5H2,1H3
InChIKeyAIOBEEGOYRVBHD-UHFFFAOYSA-N
XLogP-0.26
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-propan-2-yloxy-1H-pyridin-2-one
CID 68761178
5-[2-(Dimethylamino)ethoxy]-1-methylpyridin-2-one
CID 89031014
5-(3-methoxypropoxy)-1H-pyridin-2-one
CID 141503118
5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one;ethane
CID 144530262
5-propoxy-1H-pyridin-2-one
CID 162730270
5-[2-(Methylamino)ethoxy]-1-propan-2-ylpyridin-2-one
CID 176690527
4-(azetidin-3-yloxy)-1,6-dimethylpyridin-2(1H)-one
CID 72716696
4-(Azetidin-3-yloxy)-1,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride
CID 76145517
1-[2-(Azetidin-3-yloxy)ethyl]-1,2-dihydropyridin-2-one
CID 82896574
5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one
CID 144530263

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-1-methylpyridin-2-one?
The IUPAC name of 5-(azetidin-3-yloxy)-1-methylpyridin-2-one (CID 141396401) is 5-(azetidin-3-yloxy)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(azetidin-3-yloxy)-1-methylpyridin-2-one?
The canonical SMILES for 5-(azetidin-3-yloxy)-1-methylpyridin-2-one is Cn1cc(OC2CNC2)ccc1=O.
What is the InChIKey of 5-(azetidin-3-yloxy)-1-methylpyridin-2-one?
The InChIKey is AIOBEEGOYRVBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-6-7(2-3-9(11)12)13-8-4-10-5-8/h2-3,6,8,10H,4-5H2,1H3.
What are the key properties of 5-(azetidin-3-yloxy)-1-methylpyridin-2-one?
5-(azetidin-3-yloxy)-1-methylpyridin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-1-methylpyridin-2-one is sourced from PubChem (CID 141396401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).