5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one

C9H11NO2 — CID 171384690

IUPAC5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one
SMILESCc1cc(=O)[nH]c2c1CCCO2
InChIInChI=1S/C9H11NO2/c1-6-5-8(11)10-9-7(6)3-2-4-12-9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyKJXZKCSUPWDUPB-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.01
Rot. Bonds

About 5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one

5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one (PubChem CID 171384690) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one.

Molecular Properties

Compound Name5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one
PubChem CID171384690
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one
SMILESCc1cc(=O)[nH]c2c1CCCO2
InChIInChI=1S/C9H11NO2/c1-6-5-8(11)10-9-7(6)3-2-4-12-9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyKJXZKCSUPWDUPB-UHFFFAOYSA-N
XLogP1.01
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-3,7-dihydrofuro[2,3-b]pyridin-6(2h)-one
CID 280738
1-ethoxy-8-fluoro-2H-isoquinolin-3-one
CID 138974315
1-ethoxy-7-fluoro-2H-isoquinolin-3-one
CID 138974695
Pyrano[2,3-b]pyridine, 3,4,7,8-tetrahydro-5,8-dimethyl-7-oxo-
CID 171384288
1-methoxy-2H-isoquinolin-3-one
CID 126737660
6-chloro-1-ethoxy-2H-isoquinolin-3-one
CID 138974970
1-ethoxy-2H-isoquinolin-3-one
CID 168330143
ethane;1-methoxy-5-methyl-2H-isoquinolin-3-one
CID 143957077
1-methoxy-5-methyl-2H-isoquinolin-3-one
CID 143957078

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one?
The IUPAC name of 5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one (CID 171384690) is 5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one.
What is the SMILES notation for 5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one?
The canonical SMILES for 5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one is Cc1cc(=O)[nH]c2c1CCCO2.
What is the InChIKey of 5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one?
The InChIKey is KJXZKCSUPWDUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-5-8(11)10-9-7(6)3-2-4-12-9/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one?
5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one has a molecular weight of 165.19 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,4,8-tetrahydropyrano[2,3-b]pyridin-7-one is sourced from PubChem (CID 171384690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).