(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone

C15H19NO3 — CID 63764476

IUPAC(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2C3CCC2CC(O)C3)c1O
InChIInChI=1S/C15H19NO3/c1-9-3-2-4-13(14(9)18)15(19)16-10-5-6-11(16)8-12(17)7-10/h2-4,10-12,17-18H,5-8H2,1H3
InChIKeyWYWPVQMIFFKRNG-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.83
Rot. Bonds1

About (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone (PubChem CID 63764476) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone
PubChem CID63764476
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2C3CCC2CC(O)C3)c1O
InChIInChI=1S/C15H19NO3/c1-9-3-2-4-13(14(9)18)15(19)16-10-5-6-11(16)8-12(17)7-10/h2-4,10-12,17-18H,5-8H2,1H3
InChIKeyWYWPVQMIFFKRNG-UHFFFAOYSA-N
XLogP1.83
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone?
The IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone (CID 63764476) is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone is Cc1cccc(C(=O)N2C3CCC2CC(O)C3)c1O.
What is the InChIKey of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone?
The InChIKey is WYWPVQMIFFKRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-3-2-4-13(14(9)18)15(19)16-10-5-6-11(16)8-12(17)7-10/h2-4,10-12,17-18H,5-8H2,1H3.
What are the key properties of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone?
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone has a molecular weight of 261.32 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 63764476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).