[(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine

C6H11NO — CID 90743360

IUPAC[(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine
SMILESNC[C@]12C[C@H]1CCO2
InChIInChI=1S/C6H11NO/c7-4-6-3-5(6)1-2-8-6/h5H,1-4,7H2/t5-,6-/m1/s1
InChIKeyABNNAJJNPSHBOZ-PHDIDXHHSA-N
MW113.16 g/mol
LogP0.12
Rot. Bonds1

About [(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine

[(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine (PubChem CID 90743360) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is [(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine.

Molecular Properties

Compound Name[(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine
PubChem CID90743360
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name[(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine
SMILESNC[C@]12C[C@H]1CCO2
InChIInChI=1S/C6H11NO/c7-4-6-3-5(6)1-2-8-6/h5H,1-4,7H2/t5-,6-/m1/s1
InChIKeyABNNAJJNPSHBOZ-PHDIDXHHSA-N
XLogP0.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine?
The IUPAC name of [(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine (CID 90743360) is [(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine.
What is the SMILES notation for [(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine?
The canonical SMILES for [(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine is NC[C@]12C[C@H]1CCO2.
What is the InChIKey of [(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine?
The InChIKey is ABNNAJJNPSHBOZ-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11NO/c7-4-6-3-5(6)1-2-8-6/h5H,1-4,7H2/t5-,6-/m1/s1.
What are the key properties of [(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine?
[(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine has a molecular weight of 113.16 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine is sourced from PubChem (CID 90743360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).