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

C10H17NO — CID 10442070

IUPAC(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C
InChIInChI=1S/C10H17NO/c1-3-8-9-5-4-7(11(9)2)6-10(8)12/h3,7-10,12H,1,4-6H2,2H3/t7-,8+,9+,10-/m0/s1
InChIKeyVTLJPGXLICBYDN-JLIMGVALSA-N
MW167.25 g/mol
LogP1.02
Rot. Bonds1

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

(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 10442070) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID10442070
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C
InChIInChI=1S/C10H17NO/c1-3-8-9-5-4-7(11(9)2)6-10(8)12/h3,7-10,12H,1,4-6H2,2H3/t7-,8+,9+,10-/m0/s1
InChIKeyVTLJPGXLICBYDN-JLIMGVALSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

tert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
CID 10016594
2,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 14849397
2,4,8-Trimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 21487022
tert-butyl-[[(2R,3S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
CID 57222483
(1R,5S)-2,4,8-trimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 57321720
1-(8-Tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol
CID 57910935
(5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 122486222
(3R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 161529055
tert-butyl (2S,3R)-2-ethenyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 169650953
(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

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 10442070) is (1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is C=C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C.
What is the InChIKey of (1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is VTLJPGXLICBYDN-JLIMGVALSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-8-9-5-4-7(11(9)2)6-10(8)12/h3,7-10,12H,1,4-6H2,2H3/t7-,8+,9+,10-/m0/s1.
What are the key properties of (1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 167.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 10442070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).