9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C16H21NO2 — CID 171958786

IUPAC9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESC=C(c1ccccc1)C1(O)CC2COCC(C1)N2C
InChIInChI=1S/C16H21NO2/c1-12(13-6-4-3-5-7-13)16(18)8-14-10-19-11-15(9-16)17(14)2/h3-7,14-15,18H,1,8-11H2,2H3
InChIKeyPBIPFGAAEIFQHJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.92
Rot. Bonds2

About 9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171958786) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171958786
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESC=C(c1ccccc1)C1(O)CC2COCC(C1)N2C
InChIInChI=1S/C16H21NO2/c1-12(13-6-4-3-5-7-13)16(18)8-14-10-19-11-15(9-16)17(14)2/h3-7,14-15,18H,1,8-11H2,2H3
InChIKeyPBIPFGAAEIFQHJ-UHFFFAOYSA-N
XLogP1.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171958786) is 9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is C=C(c1ccccc1)C1(O)CC2COCC(C1)N2C.
What is the InChIKey of 9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is PBIPFGAAEIFQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(13-6-4-3-5-7-13)16(18)8-14-10-19-11-15(9-16)17(14)2/h3-7,14-15,18H,1,8-11H2,2H3.
What are the key properties of 9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 259.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171958786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).