10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene

C11H15NO — CID 123414166

IUPAC10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
SMILESCC1C=CC2=C(C=C1)OCCNC2
InChIInChI=1S/C11H15NO/c1-9-2-4-10-8-12-6-7-13-11(10)5-3-9/h2-5,9,12H,6-8H2,1H3
InChIKeyYUXOCLQQDBKGDY-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.62
Rot. Bonds

About 10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene

10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene (PubChem CID 123414166) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene.

Molecular Properties

Compound Name10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
PubChem CID123414166
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
SMILESCC1C=CC2=C(C=C1)OCCNC2
InChIInChI=1S/C11H15NO/c1-9-2-4-10-8-12-6-7-13-11(10)5-3-9/h2-5,9,12H,6-8H2,1H3
InChIKeyYUXOCLQQDBKGDY-UHFFFAOYSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
The IUPAC name of 10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene (CID 123414166) is 10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene.
What is the SMILES notation for 10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
The canonical SMILES for 10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene is CC1C=CC2=C(C=C1)OCCNC2.
What is the InChIKey of 10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
The InChIKey is YUXOCLQQDBKGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-2-4-10-8-12-6-7-13-11(10)5-3-9/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene has a molecular weight of 177.25 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene is sourced from PubChem (CID 123414166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).