[(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

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Related Compounds

(2-Ethyloxolan-2-yl)methanamine
CID 69674500
(2-Cyclopropyloxolan-2-yl)methanamine
CID 126987666
2-Oxabicyclo[3.1.0]hexan-1-ylmethanamine
CID 55285653
[(1S,2R,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine
CID 59234168
[(5R)-2-oxabicyclo[3.1.0]hexan-1-yl]methanamine
CID 59234175
[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 59234196
(2-Oxabicyclo[3.1.0]hexan-6-yl)methanamine
CID 68653056
[(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine
CID 131968023
2-{3-Oxabicyclo[3.1.0]hexan-6-yl}ethan-1-amine
CID 84647966
[(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 96848250
[(1R,5S,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 98729472
[(1S,5R,6S)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 124555815

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).