3-oxabicyclo[3.1.0]hexan-6-ylmethanamine

C6H11NO — CID 55285751

IUPAC3-oxabicyclo[3.1.0]hexan-6-ylmethanamine
SMILESNCC1C2COCC12
InChIInChI=1S/C6H11NO/c7-1-4-5-2-8-3-6(4)5/h4-6H,1-3,7H2
InChIKeyAWZIRBSKQVRHQS-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.16
Rot. Bonds1

About 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine

3-oxabicyclo[3.1.0]hexan-6-ylmethanamine (PubChem CID 55285751) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine.

Molecular Properties

Compound Name3-oxabicyclo[3.1.0]hexan-6-ylmethanamine
PubChem CID55285751
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-oxabicyclo[3.1.0]hexan-6-ylmethanamine
SMILESNCC1C2COCC12
InChIInChI=1S/C6H11NO/c7-1-4-5-2-8-3-6(4)5/h4-6H,1-3,7H2
InChIKeyAWZIRBSKQVRHQS-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine?
The IUPAC name of 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine (CID 55285751) is 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine.
What is the SMILES notation for 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine?
The canonical SMILES for 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine is NCC1C2COCC12.
What is the InChIKey of 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine?
The InChIKey is AWZIRBSKQVRHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c7-1-4-5-2-8-3-6(4)5/h4-6H,1-3,7H2.
What are the key properties of 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine?
3-oxabicyclo[3.1.0]hexan-6-ylmethanamine has a molecular weight of 113.16 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine is sourced from PubChem (CID 55285751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).