8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol

C16H21NO — CID 171958767

IUPAC8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C(c1ccccc1)C1(O)CC2CCC(C1)N2C
InChIInChI=1S/C16H21NO/c1-12(13-6-4-3-5-7-13)16(18)10-14-8-9-15(11-16)17(14)2/h3-7,14-15,18H,1,8-11H2,2H3
InChIKeyVMUZBBKMBZYCMS-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.69
Rot. Bonds2

About 8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171958767) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171958767
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C(c1ccccc1)C1(O)CC2CCC(C1)N2C
InChIInChI=1S/C16H21NO/c1-12(13-6-4-3-5-7-13)16(18)10-14-8-9-15(11-16)17(14)2/h3-7,14-15,18H,1,8-11H2,2H3
InChIKeyVMUZBBKMBZYCMS-UHFFFAOYSA-N
XLogP2.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171958767) is 8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol is C=C(c1ccccc1)C1(O)CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is VMUZBBKMBZYCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(13-6-4-3-5-7-13)16(18)10-14-8-9-15(11-16)17(14)2/h3-7,14-15,18H,1,8-11H2,2H3.
What are the key properties of 8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 243.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(1-phenylethenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171958767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).