7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C15H19NO3 — CID 171960062

IUPAC7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(c2ccc3c(c2)CCO3)CC2COCC(C1)N2
InChIInChI=1S/C15H19NO3/c17-15(6-12-8-18-9-13(7-15)16-12)11-1-2-14-10(5-11)3-4-19-14/h1-2,5,12-13,16-17H,3-4,6-9H2
InChIKeyLXTPSGWSMMWZRG-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.96
Rot. Bonds1

About 7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171960062) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171960062
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(c2ccc3c(c2)CCO3)CC2COCC(C1)N2
InChIInChI=1S/C15H19NO3/c17-15(6-12-8-18-9-13(7-15)16-12)11-1-2-14-10(5-11)3-4-19-14/h1-2,5,12-13,16-17H,3-4,6-9H2
InChIKeyLXTPSGWSMMWZRG-UHFFFAOYSA-N
XLogP0.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol
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1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol
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1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol
CID 113425025
1-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 104542080
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963021
4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol
CID 104542076
1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449797
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]methanol
CID 105426415
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran
CID 116875895
3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol
CID 131076574
[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine
CID 116829665

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171960062) is 7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is OC1(c2ccc3c(c2)CCO3)CC2COCC(C1)N2.
What is the InChIKey of 7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is LXTPSGWSMMWZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(6-12-8-18-9-13(7-15)16-12)11-1-2-14-10(5-11)3-4-19-14/h1-2,5,12-13,16-17H,3-4,6-9H2.
What are the key properties of 7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 261.32 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171960062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).