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

C13H17NO3 — CID 164608545

IUPAC1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)pentan-2-one
SMILESCCCC(=O)CC1OCc2cnc(C)c(O)c21
InChIInChI=1S/C13H17NO3/c1-3-4-10(15)5-11-12-9(7-17-11)6-14-8(2)13(12)16/h6,11,16H,3-5,7H2,1-2H3
InChIKeyAKPVVFOJTJOJRI-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.43
Rot. Bonds4

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

1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)pentan-2-one (PubChem CID 164608545) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)pentan-2-one.

Molecular Properties

Compound Name1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)pentan-2-one
PubChem CID164608545
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)pentan-2-one
SMILESCCCC(=O)CC1OCc2cnc(C)c(O)c21
InChIInChI=1S/C13H17NO3/c1-3-4-10(15)5-11-12-9(7-17-11)6-14-8(2)13(12)16/h6,11,16H,3-5,7H2,1-2H3
InChIKeyAKPVVFOJTJOJRI-UHFFFAOYSA-N
XLogP2.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.43
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)pentan-2-one?
The IUPAC name of 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)pentan-2-one (CID 164608545) is 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)pentan-2-one.
What is the SMILES notation for 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)pentan-2-one?
The canonical SMILES for 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)pentan-2-one is CCCC(=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)pentan-2-one?
The InChIKey is AKPVVFOJTJOJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-4-10(15)5-11-12-9(7-17-11)6-14-8(2)13(12)16/h6,11,16H,3-5,7H2,1-2H3.
What are the key properties of 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)pentan-2-one?
1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)pentan-2-one has a molecular weight of 235.28 g/mol, XLogP of 2.43, 4 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)pentan-2-one is sourced from PubChem (CID 164608545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).