(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol

C8H15NO — CID 97170287

IUPAC(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol
SMILESC[C@]1(O)CN2CCC1CC2
InChIInChI=1S/C8H15NO/c1-8(10)6-9-4-2-7(8)3-5-9/h7,10H,2-6H2,1H3/t8-/m0/s1
InChIKeyIEWKLMGEIQEKBG-QMMMGPOBSA-N
MW141.21 g/mol
LogP0.46
Rot. Bonds

About (3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol

(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 97170287) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID97170287
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol
SMILESC[C@]1(O)CN2CCC1CC2
InChIInChI=1S/C8H15NO/c1-8(10)6-9-4-2-7(8)3-5-9/h7,10H,2-6H2,1H3/t8-/m0/s1
InChIKeyIEWKLMGEIQEKBG-QMMMGPOBSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of (3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol (CID 97170287) is (3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for (3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for (3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol is C[C@]1(O)CN2CCC1CC2.
What is the InChIKey of (3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is IEWKLMGEIQEKBG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(10)6-9-4-2-7(8)3-5-9/h7,10H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of (3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol?
(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 141.21 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 97170287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).