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

C14H19NO3 — CID 162401215

IUPAC1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)hexan-2-one
SMILESCCCCC(=O)CC1OCc2cnc(C)c(O)c21
InChIInChI=1S/C14H19NO3/c1-3-4-5-11(16)6-12-13-10(8-18-12)7-15-9(2)14(13)17/h7,12,17H,3-6,8H2,1-2H3
InChIKeyJFOFYSYDBFRRFH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.82
Rot. Bonds5

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

1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)hexan-2-one (PubChem CID 162401215) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)hexan-2-one.

Molecular Properties

Compound Name1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)hexan-2-one
PubChem CID162401215
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)hexan-2-one
SMILESCCCCC(=O)CC1OCc2cnc(C)c(O)c21
InChIInChI=1S/C14H19NO3/c1-3-4-5-11(16)6-12-13-10(8-18-12)7-15-9(2)14(13)17/h7,12,17H,3-6,8H2,1-2H3
InChIKeyJFOFYSYDBFRRFH-UHFFFAOYSA-N
XLogP2.82
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.82
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)hexan-2-one?
The IUPAC name of 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)hexan-2-one (CID 162401215) is 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)hexan-2-one.
What is the SMILES notation for 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)hexan-2-one?
The canonical SMILES for 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)hexan-2-one is CCCCC(=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)hexan-2-one?
The InChIKey is JFOFYSYDBFRRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-4-5-11(16)6-12-13-10(8-18-12)7-15-9(2)14(13)17/h7,12,17H,3-6,8H2,1-2H3.
What are the key properties of 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)hexan-2-one?
1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)hexan-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.82, 5 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)hexan-2-one is sourced from PubChem (CID 162401215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).