8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol

C11H19NO — CID 63769771

IUPAC8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC/C=C/CN1C2CCC1CC(O)C2
InChIInChI=1S/C11H19NO/c1-2-3-6-12-9-4-5-10(12)8-11(13)7-9/h2-3,9-11,13H,4-8H2,1H3/b3-2+
InChIKeyAAWMBRDFOUTPSQ-NSCUHMNNSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds2

About 8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63769771) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63769771
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC/C=C/CN1C2CCC1CC(O)C2
InChIInChI=1S/C11H19NO/c1-2-3-6-12-9-4-5-10(12)8-11(13)7-9/h2-3,9-11,13H,4-8H2,1H3/b3-2+
InChIKeyAAWMBRDFOUTPSQ-NSCUHMNNSA-N
XLogP1.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Ol
CID 449293
8-Methyl-8-azabicyclo(3.2.1)octan-3-ol
CID 8424
8-Allyl-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane
CID 16193543
Tropine
CID 6101956
Pseudotropine hydrochloride
CID 200599
3-Hydroxy-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium iodide
CID 13710638
endo-8-Isopropyl-8-azabicyclo(3.2.1)octan-3-ol
CID 103007
8-Butyl-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane
CID 5003945
Tropine hydrate
CID 16218784
N-Isopropyltropinium
CID 6453562
8-Ethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 428655
(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 5320764

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63769771) is 8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol is C/C=C/CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is AAWMBRDFOUTPSQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-6-12-9-4-5-10(12)8-11(13)7-9/h2-3,9-11,13H,4-8H2,1H3/b3-2+.
What are the key properties of 8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 181.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63769771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).