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

C12H15NO3 — CID 164608535

IUPAC1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)butan-2-one
SMILESCCC(=O)CC1OCc2cnc(C)c(O)c21
InChIInChI=1S/C12H15NO3/c1-3-9(14)4-10-11-8(6-16-10)5-13-7(2)12(11)15/h5,10,15H,3-4,6H2,1-2H3
InChIKeyFLMBLBITZMPGCE-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.04
Rot. Bonds3

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

1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)butan-2-one (PubChem CID 164608535) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)butan-2-one.

Molecular Properties

Compound Name1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)butan-2-one
PubChem CID164608535
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)butan-2-one
SMILESCCC(=O)CC1OCc2cnc(C)c(O)c21
InChIInChI=1S/C12H15NO3/c1-3-9(14)4-10-11-8(6-16-10)5-13-7(2)12(11)15/h5,10,15H,3-4,6H2,1-2H3
InChIKeyFLMBLBITZMPGCE-UHFFFAOYSA-N
XLogP2.04
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.04
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)butan-2-one?
The IUPAC name of 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)butan-2-one (CID 164608535) is 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)butan-2-one.
What is the SMILES notation for 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)butan-2-one?
The canonical SMILES for 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)butan-2-one is CCC(=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)butan-2-one?
The InChIKey is FLMBLBITZMPGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-9(14)4-10-11-8(6-16-10)5-13-7(2)12(11)15/h5,10,15H,3-4,6H2,1-2H3.
What are the key properties of 1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)butan-2-one?
1-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)butan-2-one has a molecular weight of 221.26 g/mol, XLogP of 2.04, 3 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)butan-2-one is sourced from PubChem (CID 164608535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).