(7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

C11H13NO2 — CID 167261701

IUPAC(7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCc1ccc2c(n1)[C@@H](C)[C@@H](C)OC2=O
InChIInChI=1S/C11H13NO2/c1-6-4-5-9-10(12-6)7(2)8(3)14-11(9)13/h4-5,7-8H,1-3H3/t7-,8+/m0/s1
InChIKeyWJXOZNJXPMQOKN-JGVFFNPUSA-N
MW191.23 g/mol
LogP2.05
Rot. Bonds

About (7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

(7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 167261701) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name(7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID167261701
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCc1ccc2c(n1)[C@@H](C)[C@@H](C)OC2=O
InChIInChI=1S/C11H13NO2/c1-6-4-5-9-10(12-6)7(2)8(3)14-11(9)13/h4-5,7-8H,1-3H3/t7-,8+/m0/s1
InChIKeyWJXOZNJXPMQOKN-JGVFFNPUSA-N
XLogP2.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The IUPAC name of (7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 167261701) is (7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for (7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The canonical SMILES for (7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is Cc1ccc2c(n1)[C@@H](C)[C@@H](C)OC2=O.
What is the InChIKey of (7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is WJXOZNJXPMQOKN-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H13NO2/c1-6-4-5-9-10(12-6)7(2)8(3)14-11(9)13/h4-5,7-8H,1-3H3/t7-,8+/m0/s1.
What are the key properties of (7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
(7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 191.23 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-2,7,8-trimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 167261701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).