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

C11H19NO — CID 51893342

IUPAC(1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC1(O)C[C@H]2CC[C@@H](C1)N2C1CC1
InChIInChI=1S/C11H19NO/c1-11(13)6-9-4-5-10(7-11)12(9)8-2-3-8/h8-10,13H,2-7H2,1H3/t9-,10+,11?
InChIKeyVZMRWUZOWDMJFX-ZACCUICWSA-N
MW181.28 g/mol
LogP1.53
Rot. Bonds1

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

(1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 51893342) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID51893342
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC1(O)C[C@H]2CC[C@@H](C1)N2C1CC1
InChIInChI=1S/C11H19NO/c1-11(13)6-9-4-5-10(7-11)12(9)8-2-3-8/h8-10,13H,2-7H2,1H3/t9-,10+,11?
InChIKeyVZMRWUZOWDMJFX-ZACCUICWSA-N
XLogP1.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 51893342) is (1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol is CC1(O)C[C@H]2CC[C@@H](C1)N2C1CC1.
What is the InChIKey of (1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is VZMRWUZOWDMJFX-ZACCUICWSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(13)6-9-4-5-10(7-11)12(9)8-2-3-8/h8-10,13H,2-7H2,1H3/t9-,10+,11?.
What are the key properties of (1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 181.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 51893342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).