2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol

C8H15NO — CID 170916328

IUPAC2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol
SMILESCC(C)(O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C8H15NO/c1-8(2,10)7-5-3-9-4-6(5)7/h5-7,9-10H,3-4H2,1-2H3/t5-,6+,7?
InChIKeyMGYYNDGUQYDYDS-MEKDEQNOSA-N
MW141.21 g/mol
LogP0.22
Rot. Bonds1

About 2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol

2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol (PubChem CID 170916328) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol
PubChem CID170916328
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol
SMILESCC(C)(O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C8H15NO/c1-8(2,10)7-5-3-9-4-6(5)7/h5-7,9-10H,3-4H2,1-2H3/t5-,6+,7?
InChIKeyMGYYNDGUQYDYDS-MEKDEQNOSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol?
The IUPAC name of 2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol (CID 170916328) is 2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol.
What is the SMILES notation for 2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol?
The canonical SMILES for 2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol is CC(C)(O)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of 2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol?
The InChIKey is MGYYNDGUQYDYDS-MEKDEQNOSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2,10)7-5-3-9-4-6(5)7/h5-7,9-10H,3-4H2,1-2H3/t5-,6+,7?.
What are the key properties of 2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol?
2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol has a molecular weight of 141.21 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-2-ol is sourced from PubChem (CID 170916328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).