3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C16H19NO2 — CID 57254654

IUPAC3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(c1occ3ccccc13)C2
InChIInChI=1S/C16H19NO2/c1-17-12-6-7-13(17)9-16(18,8-12)15-14-5-3-2-4-11(14)10-19-15/h2-5,10,12-13,18H,6-9H2,1H3
InChIKeyAWQZZPWQNQADCB-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.88
Rot. Bonds1

About 3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 57254654) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID57254654
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(c1occ3ccccc13)C2
InChIInChI=1S/C16H19NO2/c1-17-12-6-7-13(17)9-16(18,8-12)15-14-5-3-2-4-11(14)10-19-15/h2-5,10,12-13,18H,6-9H2,1H3
InChIKeyAWQZZPWQNQADCB-UHFFFAOYSA-N
XLogP2.88
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 57254654) is 3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is CN1C2CCC1CC(O)(c1occ3ccccc13)C2.
What is the InChIKey of 3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is AWQZZPWQNQADCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17-12-6-7-13(17)9-16(18,8-12)15-14-5-3-2-4-11(14)10-19-15/h2-5,10,12-13,18H,6-9H2,1H3.
What are the key properties of 3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 257.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 57254654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).