1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one

C11H13NO3 — CID 162401034

IUPAC1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one
SMILESCC(=O)CC1OCc2cnc(C)c(O)c21
InChIInChI=1S/C11H13NO3/c1-6(13)3-9-10-8(5-15-9)4-12-7(2)11(10)14/h4,9,14H,3,5H2,1-2H3
InChIKeyUIIZHQJQVVEENL-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.65
Rot. Bonds2

About 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one

1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one (PubChem CID 162401034) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one
PubChem CID162401034
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one
SMILESCC(=O)CC1OCc2cnc(C)c(O)c21
InChIInChI=1S/C11H13NO3/c1-6(13)3-9-10-8(5-15-9)4-12-7(2)11(10)14/h4,9,14H,3,5H2,1-2H3
InChIKeyUIIZHQJQVVEENL-UHFFFAOYSA-N
XLogP1.65
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one?
The IUPAC name of 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one (CID 162401034) is 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one.
What is the SMILES notation for 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one?
The canonical SMILES for 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one is CC(=O)CC1OCc2cnc(C)c(O)c21.
What is the InChIKey of 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one?
The InChIKey is UIIZHQJQVVEENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-6(13)3-9-10-8(5-15-9)4-12-7(2)11(10)14/h4,9,14H,3,5H2,1-2H3.
What are the key properties of 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one?
1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)propan-2-one is sourced from PubChem (CID 162401034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).