(5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane

C17H23NO2 — CID 95226456

IUPAC(5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane
SMILESC=CCc1ccc(O[C@]23CCCN(CC2)C3)c(OC)c1
InChIInChI=1S/C17H23NO2/c1-3-5-14-6-7-15(16(12-14)19-2)20-17-8-4-10-18(13-17)11-9-17/h3,6-7,12H,1,4-5,8-11,13H2,2H3/t17-/m1/s1
InChIKeyYBVOLCHNVREFND-QGZVFWFLSA-N
MW273.38 g/mol
LogP3.04
Rot. Bonds5

About (5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane

(5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane (PubChem CID 95226456) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane
PubChem CID95226456
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane
SMILESC=CCc1ccc(O[C@]23CCCN(CC2)C3)c(OC)c1
InChIInChI=1S/C17H23NO2/c1-3-5-14-6-7-15(16(12-14)19-2)20-17-8-4-10-18(13-17)11-9-17/h3,6-7,12H,1,4-5,8-11,13H2,2H3/t17-/m1/s1
InChIKeyYBVOLCHNVREFND-QGZVFWFLSA-N
XLogP3.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
CID 57350376
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
CID 122178034
iron;(2-methoxy-4-prop-2-enylphenyl) formate
CID 174941140
2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol
CID 146301981
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
CID 70184133
CID 70184133
ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
CID 142811862
1-bromo-2-methoxy-4-prop-2-enylbenzene
CID 70188146

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane?
The IUPAC name of (5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane (CID 95226456) is (5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for (5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane?
The canonical SMILES for (5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane is C=CCc1ccc(O[C@]23CCCN(CC2)C3)c(OC)c1.
What is the InChIKey of (5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane?
The InChIKey is YBVOLCHNVREFND-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-5-14-6-7-15(16(12-14)19-2)20-17-8-4-10-18(13-17)11-9-17/h3,6-7,12H,1,4-5,8-11,13H2,2H3/t17-/m1/s1.
What are the key properties of (5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane?
(5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane has a molecular weight of 273.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-methoxy-4-prop-2-enylphenoxy)-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 95226456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).