(5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol

C11H19NO2 — CID 163660256

IUPAC(5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CC(O)CN1C2CC[C@@H]1CC(O)C2
InChIInChI=1S/C11H19NO2/c1-2-10(13)7-12-8-3-4-9(12)6-11(14)5-8/h2,8-11,13-14H,1,3-7H2/t8-,9?,10?,11?/m1/s1
InChIKeyITUBPHIEJHDBEH-XUHYKBHQSA-N
MW197.28 g/mol
LogP0.52
Rot. Bonds3

About (5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol

(5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 163660256) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID163660256
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CC(O)CN1C2CC[C@@H]1CC(O)C2
InChIInChI=1S/C11H19NO2/c1-2-10(13)7-12-8-3-4-9(12)6-11(14)5-8/h2,8-11,13-14H,1,3-7H2/t8-,9?,10?,11?/m1/s1
InChIKeyITUBPHIEJHDBEH-XUHYKBHQSA-N
XLogP0.52
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-Allyl-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane
CID 16193543
3-Hydroxy-8-methyl-8-(prop-2-en-1-yl)-8-azoniabicyclo[3.2.1]octane
CID 5003946
(2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 139195361
8-Methyl-3-methylidene-8-azabicyclo[3.2.1]octan-6-ol
CID 58902791
8-(Prop-2-en-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63768538
8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769771
8-Prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
CID 70504469
3-Prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 5231831
(2R,3R,8aS)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 10976110
8-But-3-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 63768734
8-Pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 64298778
8-But-3-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 64298779

Frequently Asked Questions

What is the IUPAC name of (5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 163660256) is (5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol is C=CC(O)CN1C2CC[C@@H]1CC(O)C2.
What is the InChIKey of (5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ITUBPHIEJHDBEH-XUHYKBHQSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-10(13)7-12-8-3-4-9(12)6-11(14)5-8/h2,8-11,13-14H,1,3-7H2/t8-,9?,10?,11?/m1/s1.
What are the key properties of (5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
(5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 197.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-8-(2-hydroxybut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 163660256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).