2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one

C10H11NO2 — CID 15202002

IUPAC2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one
SMILESCC1(C)CC(=O)c2cccnc2O1
InChIInChI=1S/C10H11NO2/c1-10(2)6-8(12)7-4-3-5-11-9(7)13-10/h3-5H,6H2,1-2H3
InChIKeyHWYZKAPKLDMSDU-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.83
Rot. Bonds

About 2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one

2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one (PubChem CID 15202002) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one
PubChem CID15202002
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one
SMILESCC1(C)CC(=O)c2cccnc2O1
InChIInChI=1S/C10H11NO2/c1-10(2)6-8(12)7-4-3-5-11-9(7)13-10/h3-5H,6H2,1-2H3
InChIKeyHWYZKAPKLDMSDU-UHFFFAOYSA-N
XLogP1.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one?
The IUPAC name of 2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one (CID 15202002) is 2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one is CC1(C)CC(=O)c2cccnc2O1.
What is the InChIKey of 2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one?
The InChIKey is HWYZKAPKLDMSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-10(2)6-8(12)7-4-3-5-11-9(7)13-10/h3-5H,6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one?
2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one has a molecular weight of 177.20 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 15202002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).