(5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one

C14H15NO3 — CID 162925221

IUPAC(5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one
SMILESCN1CCCC2=C1C(=O)O[C@@H]2c1ccc(O)cc1
InChIInChI=1S/C14H15NO3/c1-15-8-2-3-11-12(15)14(17)18-13(11)9-4-6-10(16)7-5-9/h4-7,13,16H,2-3,8H2,1H3/t13-/m1/s1
InChIKeyKMWYWIJSKXMXGY-CYBMUJFWSA-N
MW245.28 g/mol
LogP1.97
Rot. Bonds1

About (5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one

(5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one (PubChem CID 162925221) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name(5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one
PubChem CID162925221
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one
SMILESCN1CCCC2=C1C(=O)O[C@@H]2c1ccc(O)cc1
InChIInChI=1S/C14H15NO3/c1-15-8-2-3-11-12(15)14(17)18-13(11)9-4-6-10(16)7-5-9/h4-7,13,16H,2-3,8H2,1H3/t13-/m1/s1
InChIKeyKMWYWIJSKXMXGY-CYBMUJFWSA-N
XLogP1.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one?
The IUPAC name of (5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one (CID 162925221) is (5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one.
What is the SMILES notation for (5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one?
The canonical SMILES for (5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one is CN1CCCC2=C1C(=O)O[C@@H]2c1ccc(O)cc1.
What is the InChIKey of (5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one?
The InChIKey is KMWYWIJSKXMXGY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15NO3/c1-15-8-2-3-11-12(15)14(17)18-13(11)9-4-6-10(16)7-5-9/h4-7,13,16H,2-3,8H2,1H3/t13-/m1/s1.
What are the key properties of (5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one?
(5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one has a molecular weight of 245.28 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one is sourced from PubChem (CID 162925221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).