(1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol

C11H20NO+ — CID 11861952

IUPAC(1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESC=CCC1(O)C[C@H]2CC[C@@H](C1)[NH+]2C
InChIInChI=1S/C11H19NO/c1-3-6-11(13)7-9-4-5-10(8-11)12(9)2/h3,9-10,13H,1,4-8H2,2H3/p+1/t9-,10+,11?
InChIKeyGGFSOCCIXCDGTH-ZACCUICWSA-O
MW182.29 g/mol
LogP0.13
Rot. Bonds2

About (1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol

(1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol (PubChem CID 11861952) has the molecular formula C11H20NO+ and a molecular weight of 182.29 g/mol. Its IUPAC name is (1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol
PubChem CID11861952
Molecular FormulaC11H20NO+
Molecular Weight182.29 g/mol
Exact Mass182.15
IUPAC Name(1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESC=CCC1(O)C[C@H]2CC[C@@H](C1)[NH+]2C
InChIInChI=1S/C11H19NO/c1-3-6-11(13)7-9-4-5-10(8-11)12(9)2/h3,9-10,13H,1,4-8H2,2H3/p+1/t9-,10+,11?
InChIKeyGGFSOCCIXCDGTH-ZACCUICWSA-O
XLogP0.13
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4,4-Trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964325
3-Prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 79190119
(1S,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 1503687
8-Methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 4916803
(1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 6987598
(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 7223736
(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 10442070
3-Ethenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 65416262
3-(2-Methylprop-1-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79190226
3-Prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 79734393
2-Methyl-1-piperidin-2-ylpent-4-en-2-ol
CID 116009513
3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 130510201

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol (CID 11861952) is (1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol is C=CCC1(O)C[C@H]2CC[C@@H](C1)[NH+]2C.
What is the InChIKey of (1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The InChIKey is GGFSOCCIXCDGTH-ZACCUICWSA-O. The full InChI is InChI=1S/C11H19NO/c1-3-6-11(13)7-9-4-5-10(8-11)12(9)2/h3,9-10,13H,1,4-8H2,2H3/p+1/t9-,10+,11?.
What are the key properties of (1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol?
(1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol has a molecular weight of 182.29 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 11861952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).