6-(oxan-3-yl)-1H-pyridin-2-one

C10H13NO2 — CID 172992133

IUPAC6-(oxan-3-yl)-1H-pyridin-2-one
SMILESO=c1cccc(C2CCCOC2)[nH]1
InChIInChI=1S/C10H13NO2/c12-10-5-1-4-9(11-10)8-3-2-6-13-7-8/h1,4-5,8H,2-3,6-7H2,(H,11,12)
InChIKeyLMPMTBTYVFXTPI-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.27
Rot. Bonds1

About 6-(oxan-3-yl)-1H-pyridin-2-one

6-(oxan-3-yl)-1H-pyridin-2-one (PubChem CID 172992133) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-(oxan-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(oxan-3-yl)-1H-pyridin-2-one
PubChem CID172992133
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-(oxan-3-yl)-1H-pyridin-2-one
SMILESO=c1cccc(C2CCCOC2)[nH]1
InChIInChI=1S/C10H13NO2/c12-10-5-1-4-9(11-10)8-3-2-6-13-7-8/h1,4-5,8H,2-3,6-7H2,(H,11,12)
InChIKeyLMPMTBTYVFXTPI-UHFFFAOYSA-N
XLogP1.27
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-3-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(oxan-3-yl)-1H-pyridin-2-one (CID 172992133) is 6-(oxan-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(oxan-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(oxan-3-yl)-1H-pyridin-2-one is O=c1cccc(C2CCCOC2)[nH]1.
What is the InChIKey of 6-(oxan-3-yl)-1H-pyridin-2-one?
The InChIKey is LMPMTBTYVFXTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-10-5-1-4-9(11-10)8-3-2-6-13-7-8/h1,4-5,8H,2-3,6-7H2,(H,11,12).
What are the key properties of 6-(oxan-3-yl)-1H-pyridin-2-one?
6-(oxan-3-yl)-1H-pyridin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 172992133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).