(5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one

C13H13NO3 — CID 162912359

IUPAC(5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one
SMILESO=C1O[C@H](c2ccc(O)cc2)C2=C1NCCC2
InChIInChI=1S/C13H13NO3/c15-9-5-3-8(4-6-9)12-10-2-1-7-14-11(10)13(16)17-12/h3-6,12,14-15H,1-2,7H2/t12-/m1/s1
InChIKeyCEPMZPQDAVMKIL-GFCCVEGCSA-N
MW231.25 g/mol
LogP1.63
Rot. Bonds1

About (5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one

(5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one (PubChem CID 162912359) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name(5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one
PubChem CID162912359
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one
SMILESO=C1O[C@H](c2ccc(O)cc2)C2=C1NCCC2
InChIInChI=1S/C13H13NO3/c15-9-5-3-8(4-6-9)12-10-2-1-7-14-11(10)13(16)17-12/h3-6,12,14-15H,1-2,7H2/t12-/m1/s1
InChIKeyCEPMZPQDAVMKIL-GFCCVEGCSA-N
XLogP1.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one?
The IUPAC name of (5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one (CID 162912359) is (5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one.
What is the SMILES notation for (5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one?
The canonical SMILES for (5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one is O=C1O[C@H](c2ccc(O)cc2)C2=C1NCCC2.
What is the InChIKey of (5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one?
The InChIKey is CEPMZPQDAVMKIL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H13NO3/c15-9-5-3-8(4-6-9)12-10-2-1-7-14-11(10)13(16)17-12/h3-6,12,14-15H,1-2,7H2/t12-/m1/s1.
What are the key properties of (5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one?
(5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one has a molecular weight of 231.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one is sourced from PubChem (CID 162912359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).