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

C13H19NO2 — CID 115880167

IUPAC8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccoc1CN1C2CCC1CC(O)C2
InChIInChI=1S/C13H19NO2/c1-9-4-5-16-13(9)8-14-10-2-3-11(14)7-12(15)6-10/h4-5,10-12,15H,2-3,6-8H2,1H3
InChIKeyLYPLDYJDMOWLAF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.08
Rot. Bonds2

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

8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 115880167) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID115880167
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccoc1CN1C2CCC1CC(O)C2
InChIInChI=1S/C13H19NO2/c1-9-4-5-16-13(9)8-14-10-2-3-11(14)7-12(15)6-10/h4-5,10-12,15H,2-3,6-8H2,1H3
InChIKeyLYPLDYJDMOWLAF-UHFFFAOYSA-N
XLogP2.08
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 115880167) is 8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is Cc1ccoc1CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is LYPLDYJDMOWLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-4-5-16-13(9)8-14-10-2-3-11(14)7-12(15)6-10/h4-5,10-12,15H,2-3,6-8H2,1H3.
What are the key properties of 8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 221.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 115880167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).