(6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene

C7H7NO — CID 133063995

IUPAC(6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene
SMILESC[C@@]12C=CC=CC1=NO2
InChIInChI=1S/C7H7NO/c1-7-5-3-2-4-6(7)8-9-7/h2-5H,1H3/t7-/m1/s1
InChIKeyLXGGGVDCHWPKOI-SSDOTTSWSA-N
MW121.14 g/mol
LogP1.26
Rot. Bonds

About (6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene

(6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene (PubChem CID 133063995) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is (6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene.

Molecular Properties

Compound Name(6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene
PubChem CID133063995
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name(6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene
SMILESC[C@@]12C=CC=CC1=NO2
InChIInChI=1S/C7H7NO/c1-7-5-3-2-4-6(7)8-9-7/h2-5H,1H3/t7-/m1/s1
InChIKeyLXGGGVDCHWPKOI-SSDOTTSWSA-N
XLogP1.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene?
The IUPAC name of (6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene (CID 133063995) is (6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene.
What is the SMILES notation for (6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene?
The canonical SMILES for (6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene is C[C@@]12C=CC=CC1=NO2.
What is the InChIKey of (6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene?
The InChIKey is LXGGGVDCHWPKOI-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H7NO/c1-7-5-3-2-4-6(7)8-9-7/h2-5H,1H3/t7-/m1/s1.
What are the key properties of (6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene?
(6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene has a molecular weight of 121.14 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene is sourced from PubChem (CID 133063995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).