6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C13H10N2 — CID 140956220

IUPAC6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC=C1c2cnccc2-c2cncc(C)c21
InChIInChI=1S/C13H10N2/c1-8-5-15-7-12-10-3-4-14-6-11(10)9(2)13(8)12/h3-7H,2H2,1H3
InChIKeyZEAHFTWXOQBMFX-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.83
Rot. Bonds

About 6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 140956220) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID140956220
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC=C1c2cnccc2-c2cncc(C)c21
InChIInChI=1S/C13H10N2/c1-8-5-15-7-12-10-3-4-14-6-11(10)9(2)13(8)12/h3-7H,2H2,1H3
InChIKeyZEAHFTWXOQBMFX-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-8-methylidene-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 139436249
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
3,4-dimethylpyridine;1,2-xylene
CID 158871716
4-methylbenzo[g]isoquinoline-5,10-dione
CID 73350960
ethane;2-(3-methyl-4-pyridinyl)propan-2-ol
CID 145265708
3-methyl-4-naphthalen-1-ylpyridine
CID 12872900
3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine
CID 59609405
3-methyl-4-(2-prop-2-enylphenyl)pyridine
CID 66828057
3-methyl-4-(5-methylthiophen-2-yl)pyridine
CID 163257476
6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione
CID 106518852
1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium
CID 155790388
3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 122642605

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 140956220) is 6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is C=C1c2cnccc2-c2cncc(C)c21.
What is the InChIKey of 6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is ZEAHFTWXOQBMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-8-5-15-7-12-10-3-4-14-6-11(10)9(2)13(8)12/h3-7H,2H2,1H3.
What are the key properties of 6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 194.24 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 140956220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).