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

C8H15NO — CID 163526675

IUPAC(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
SMILESCC(C)N1C[C@@H]2C(O)[C@@H]2C1
InChIInChI=1S/C8H15NO/c1-5(2)9-3-6-7(4-9)8(6)10/h5-8,10H,3-4H2,1-2H3/t6-,7+,8?
InChIKeyDPJHXPYARCRNDZ-DHBOJHSNSA-N
MW141.21 g/mol
LogP0.32
Rot. Bonds1

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

(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol (PubChem CID 163526675) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
PubChem CID163526675
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
SMILESCC(C)N1C[C@@H]2C(O)[C@@H]2C1
InChIInChI=1S/C8H15NO/c1-5(2)9-3-6-7(4-9)8(6)10/h5-8,10H,3-4H2,1-2H3/t6-,7+,8?
InChIKeyDPJHXPYARCRNDZ-DHBOJHSNSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol?
The IUPAC name of (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol (CID 163526675) is (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol is CC(C)N1C[C@@H]2C(O)[C@@H]2C1.
What is the InChIKey of (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol?
The InChIKey is DPJHXPYARCRNDZ-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H15NO/c1-5(2)9-3-6-7(4-9)8(6)10/h5-8,10H,3-4H2,1-2H3/t6-,7+,8?.
What are the key properties of (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol?
(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol has a molecular weight of 141.21 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 163526675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).