(1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine

C7H13NO — CID 136589254

IUPAC(1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESNC1C[C@@H]2OCCC[C@H]12
InChIInChI=1S/C7H13NO/c8-6-4-7-5(6)2-1-3-9-7/h5-7H,1-4,8H2/t5-,6?,7+/m1/s1
InChIKeyVYQRMUFYXHFYSF-UYMSWOSGSA-N
MW127.19 g/mol
LogP0.51
Rot. Bonds

About (1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine

(1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 136589254) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name(1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID136589254
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESNC1C[C@@H]2OCCC[C@H]12
InChIInChI=1S/C7H13NO/c8-6-4-7-5(6)2-1-3-9-7/h5-7H,1-4,8H2/t5-,6?,7+/m1/s1
InChIKeyVYQRMUFYXHFYSF-UYMSWOSGSA-N
XLogP0.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of (1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine (CID 136589254) is (1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for (1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for (1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine is NC1C[C@@H]2OCCC[C@H]12.
What is the InChIKey of (1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is VYQRMUFYXHFYSF-UYMSWOSGSA-N. The full InChI is InChI=1S/C7H13NO/c8-6-4-7-5(6)2-1-3-9-7/h5-7H,1-4,8H2/t5-,6?,7+/m1/s1.
What are the key properties of (1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine?
(1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 127.19 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 136589254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).