12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane

C13H20N2O — CID 162283830

IUPAC12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane
SMILESCC.CC1(C)OCCn2nc3c(c21)C=CC3
InChIInChI=1S/C11H14N2O.C2H6/c1-11(2)10-8-4-3-5-9(8)12-13(10)6-7-14-11;1-2/h3-4H,5-7H2,1-2H3;1-2H3
InChIKeyOHFXMWBCLFSQLY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.74
Rot. Bonds

About 12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane

12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane (PubChem CID 162283830) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane.

Molecular Properties

Compound Name12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane
PubChem CID162283830
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane
SMILESCC.CC1(C)OCCn2nc3c(c21)C=CC3
InChIInChI=1S/C11H14N2O.C2H6/c1-11(2)10-8-4-3-5-9(8)12-13(10)6-7-14-11;1-2/h3-4H,5-7H2,1-2H3;1-2H3
InChIKeyOHFXMWBCLFSQLY-UHFFFAOYSA-N
XLogP2.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane?
The IUPAC name of 12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane (CID 162283830) is 12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane.
What is the SMILES notation for 12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane?
The canonical SMILES for 12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane is CC.CC1(C)OCCn2nc3c(c21)C=CC3.
What is the InChIKey of 12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane?
The InChIKey is OHFXMWBCLFSQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C2H6/c1-11(2)10-8-4-3-5-9(8)12-13(10)6-7-14-11;1-2/h3-4H,5-7H2,1-2H3;1-2H3.
What are the key properties of 12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane?
12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane has a molecular weight of 220.32 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-11-oxa-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene;ethane is sourced from PubChem (CID 162283830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).