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

C10H11NO2 — CID 175781475

IUPAC7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCC1(C)Cc2ncccc2C(=O)O1
InChIInChI=1S/C10H11NO2/c1-10(2)6-8-7(9(12)13-10)4-3-5-11-8/h3-5H,6H2,1-2H3
InChIKeyBEVKRZWBARKWJY-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.57
Rot. Bonds

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

7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 175781475) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
PubChem CID175781475
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCC1(C)Cc2ncccc2C(=O)O1
InChIInChI=1S/C10H11NO2/c1-10(2)6-8-7(9(12)13-10)4-3-5-11-8/h3-5H,6H2,1-2H3
InChIKeyBEVKRZWBARKWJY-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The IUPAC name of 7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 175781475) is 7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for 7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The canonical SMILES for 7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is CC1(C)Cc2ncccc2C(=O)O1.
What is the InChIKey of 7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The InChIKey is BEVKRZWBARKWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-10(2)6-8-7(9(12)13-10)4-3-5-11-8/h3-5H,6H2,1-2H3.
What are the key properties of 7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 177.20 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 175781475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).