(1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol

C8H15NO — CID 90339215

IUPAC(1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol
SMILESCN1C[C@@H]2[C@H](O)C[C@]2(C)C1
InChIInChI=1S/C8H15NO/c1-8-3-7(10)6(8)4-9(2)5-8/h6-7,10H,3-5H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeySIHRILBMZIGJQN-BWZBUEFSSA-N
MW141.21 g/mol
LogP0.32
Rot. Bonds

About (1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol

(1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol (PubChem CID 90339215) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol.

Molecular Properties

Compound Name(1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol
PubChem CID90339215
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol
SMILESCN1C[C@@H]2[C@H](O)C[C@]2(C)C1
InChIInChI=1S/C8H15NO/c1-8-3-7(10)6(8)4-9(2)5-8/h6-7,10H,3-5H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeySIHRILBMZIGJQN-BWZBUEFSSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol?
The IUPAC name of (1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol (CID 90339215) is (1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol.
What is the SMILES notation for (1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol?
The canonical SMILES for (1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol is CN1C[C@@H]2[C@H](O)C[C@]2(C)C1.
What is the InChIKey of (1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol?
The InChIKey is SIHRILBMZIGJQN-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H15NO/c1-8-3-7(10)6(8)4-9(2)5-8/h6-7,10H,3-5H2,1-2H3/t6-,7-,8-/m1/s1.
What are the key properties of (1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol?
(1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol has a molecular weight of 141.21 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-1,3-dimethyl-3-azabicyclo[3.2.0]heptan-6-ol is sourced from PubChem (CID 90339215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).