2-oxabicyclo[3.1.0]hexan-1-ylmethanamine

C6H11NO — CID 55285653

IUPAC2-oxabicyclo[3.1.0]hexan-1-ylmethanamine
SMILESNCC12CC1CCO2
InChIInChI=1S/C6H11NO/c7-4-6-3-5(6)1-2-8-6/h5H,1-4,7H2
InChIKeyABNNAJJNPSHBOZ-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.12
Rot. Bonds1

About 2-oxabicyclo[3.1.0]hexan-1-ylmethanamine

2-oxabicyclo[3.1.0]hexan-1-ylmethanamine (PubChem CID 55285653) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-oxabicyclo[3.1.0]hexan-1-ylmethanamine.

Molecular Properties

Compound Name2-oxabicyclo[3.1.0]hexan-1-ylmethanamine
PubChem CID55285653
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-oxabicyclo[3.1.0]hexan-1-ylmethanamine
SMILESNCC12CC1CCO2
InChIInChI=1S/C6H11NO/c7-4-6-3-5(6)1-2-8-6/h5H,1-4,7H2
InChIKeyABNNAJJNPSHBOZ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[3.1.0]hexan-1-ylmethanamine?
The IUPAC name of 2-oxabicyclo[3.1.0]hexan-1-ylmethanamine (CID 55285653) is 2-oxabicyclo[3.1.0]hexan-1-ylmethanamine.
What is the SMILES notation for 2-oxabicyclo[3.1.0]hexan-1-ylmethanamine?
The canonical SMILES for 2-oxabicyclo[3.1.0]hexan-1-ylmethanamine is NCC12CC1CCO2.
What is the InChIKey of 2-oxabicyclo[3.1.0]hexan-1-ylmethanamine?
The InChIKey is ABNNAJJNPSHBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c7-4-6-3-5(6)1-2-8-6/h5H,1-4,7H2.
What are the key properties of 2-oxabicyclo[3.1.0]hexan-1-ylmethanamine?
2-oxabicyclo[3.1.0]hexan-1-ylmethanamine 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 2-oxabicyclo[3.1.0]hexan-1-ylmethanamine is sourced from PubChem (CID 55285653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).