11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene

C13H13N — CID 170195867

IUPAC11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene
SMILESCC1(C)C=CC=C2N=CC3C=C3C2=C1
InChIInChI=1S/C13H13N/c1-13(2)5-3-4-12-11(7-13)10-6-9(10)8-14-12/h3-9H,1-2H3
InChIKeyDQJPEFNTKGBNNZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.03
Rot. Bonds

About 11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene

11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene (PubChem CID 170195867) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene.

Molecular Properties

Compound Name11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene
PubChem CID170195867
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene
SMILESCC1(C)C=CC=C2N=CC3C=C3C2=C1
InChIInChI=1S/C13H13N/c1-13(2)5-3-4-12-11(7-13)10-6-9(10)8-14-12/h3-9H,1-2H3
InChIKeyDQJPEFNTKGBNNZ-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene?
The IUPAC name of 11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene (CID 170195867) is 11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene.
What is the SMILES notation for 11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene?
The canonical SMILES for 11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene is CC1(C)C=CC=C2N=CC3C=C3C2=C1.
What is the InChIKey of 11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene?
The InChIKey is DQJPEFNTKGBNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-13(2)5-3-4-12-11(7-13)10-6-9(10)8-14-12/h3-9H,1-2H3.
What are the key properties of 11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene?
11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene has a molecular weight of 183.25 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-6-azatricyclo[5.5.0.02,4]dodeca-1(12),2,5,7,9-pentaene is sourced from PubChem (CID 170195867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).