5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one

C10H13NO2 — CID 171384288

IUPAC5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one
SMILESCc1cc(=O)n(C)c2c1CCCO2
InChIInChI=1S/C10H13NO2/c1-7-6-9(12)11(2)10-8(7)4-3-5-13-10/h6H,3-5H2,1-2H3
InChIKeyCMYLPDCWOONUMG-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.02
Rot. Bonds

About 5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one

5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one (PubChem CID 171384288) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one.

Molecular Properties

Compound Name5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one
PubChem CID171384288
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one
SMILESCc1cc(=O)n(C)c2c1CCCO2
InChIInChI=1S/C10H13NO2/c1-7-6-9(12)11(2)10-8(7)4-3-5-13-10/h6H,3-5H2,1-2H3
InChIKeyCMYLPDCWOONUMG-UHFFFAOYSA-N
XLogP1.02
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Furo[2,3-b]pyridine, 2,3,6,7-tetrahydro-4,7-dimethyl-6-oxo-
CID 13433096
Pyrano[2,3-b]pyridine, 3,4-dihydro-7-hydroxy-5-methyl-
CID 171384690
6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one
CID 59284081

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one?
The IUPAC name of 5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one (CID 171384288) is 5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one.
What is the SMILES notation for 5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one?
The canonical SMILES for 5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one is Cc1cc(=O)n(C)c2c1CCCO2.
What is the InChIKey of 5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one?
The InChIKey is CMYLPDCWOONUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-6-9(12)11(2)10-8(7)4-3-5-13-10/h6H,3-5H2,1-2H3.
What are the key properties of 5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one?
5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one has a molecular weight of 179.22 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one is sourced from PubChem (CID 171384288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).