3-(oxetan-3-ylmethyl)-1H-pyridin-2-one

C9H11NO2 — CID 140672169

IUPAC3-(oxetan-3-ylmethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CC1COC1
InChIInChI=1S/C9H11NO2/c11-9-8(2-1-3-10-9)4-7-5-12-6-7/h1-3,7H,4-6H2,(H,10,11)
InChIKeyRIZQCSMXTNKGDD-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.56
Rot. Bonds2

About 3-(oxetan-3-ylmethyl)-1H-pyridin-2-one

3-(oxetan-3-ylmethyl)-1H-pyridin-2-one (PubChem CID 140672169) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-(oxetan-3-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(oxetan-3-ylmethyl)-1H-pyridin-2-one
PubChem CID140672169
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-(oxetan-3-ylmethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CC1COC1
InChIInChI=1S/C9H11NO2/c11-9-8(2-1-3-10-9)4-7-5-12-6-7/h1-3,7H,4-6H2,(H,10,11)
InChIKeyRIZQCSMXTNKGDD-UHFFFAOYSA-N
XLogP0.56
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(oxetan-3-ylmethyl)-1H-pyridin-2-one (CID 140672169) is 3-(oxetan-3-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(oxetan-3-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(oxetan-3-ylmethyl)-1H-pyridin-2-one is O=c1[nH]cccc1CC1COC1.
What is the InChIKey of 3-(oxetan-3-ylmethyl)-1H-pyridin-2-one?
The InChIKey is RIZQCSMXTNKGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-9-8(2-1-3-10-9)4-7-5-12-6-7/h1-3,7H,4-6H2,(H,10,11).
What are the key properties of 3-(oxetan-3-ylmethyl)-1H-pyridin-2-one?
3-(oxetan-3-ylmethyl)-1H-pyridin-2-one has a molecular weight of 165.19 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 140672169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).