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

C11H19NO — CID 6987598

IUPAC(1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCC1(O)C[C@@H]2CC[C@@H](C1)N2C
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/t9-,10-/m0/s1
InChIKeyGGFSOCCIXCDGTH-UWVGGRQHSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds2

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

(1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 6987598) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID6987598
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCC1(O)C[C@@H]2CC[C@@H](C1)N2C
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/t9-,10-/m0/s1
InChIKeyGGFSOCCIXCDGTH-UWVGGRQHSA-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

8-Methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964326
1-(8-Tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol
CID 57910935
Tert-butyl 3-hydroxy-3-prop-2-enyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 139971876
(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
(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 7223736
(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 10352802
(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 10442070
2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol
CID 10845125
(1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 11861952
3-Prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 79734393
7-prop-2-enyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 81611825

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol (CID 6987598) is (1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol is C=CCC1(O)C[C@@H]2CC[C@@H](C1)N2C.
What is the InChIKey of (1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is GGFSOCCIXCDGTH-UWVGGRQHSA-N. 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/t9-,10-/m0/s1.
What are the key properties of (1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
(1S,5S)-8-methyl-3-prop-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 (1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 6987598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).