2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene

C11H14N2O — CID 166446193

IUPAC2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
SMILESCN1c2cnccc2C2(C)CCOC12
InChIInChI=1S/C11H14N2O/c1-11-4-6-14-10(11)13(2)9-7-12-5-3-8(9)11/h3,5,7,10H,4,6H2,1-2H3
InChIKeyMHTUCFQEYYNUKJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.54
Rot. Bonds

About 2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene

2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene (PubChem CID 166446193) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene.

Molecular Properties

Compound Name2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
PubChem CID166446193
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
SMILESCN1c2cnccc2C2(C)CCOC12
InChIInChI=1S/C11H14N2O/c1-11-4-6-14-10(11)13(2)9-7-12-5-3-8(9)11/h3,5,7,10H,4,6H2,1-2H3
InChIKeyMHTUCFQEYYNUKJ-UHFFFAOYSA-N
XLogP1.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene?
The IUPAC name of 2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene (CID 166446193) is 2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene.
What is the SMILES notation for 2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene?
The canonical SMILES for 2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene is CN1c2cnccc2C2(C)CCOC12.
What is the InChIKey of 2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene?
The InChIKey is MHTUCFQEYYNUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11-4-6-14-10(11)13(2)9-7-12-5-3-8(9)11/h3,5,7,10H,4,6H2,1-2H3.
What are the key properties of 2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene?
2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene has a molecular weight of 190.25 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene is sourced from PubChem (CID 166446193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).