2,4-diazatricyclo[5.2.1.02,6]dec-3-ene

C8H12N2 — CID 90837373

IUPAC2,4-diazatricyclo[5.2.1.02,6]dec-3-ene
SMILESC1=NCC2C3CCC(C3)N12
InChIInChI=1S/C8H12N2/c1-2-7-3-6(1)8-4-9-5-10(7)8/h5-8H,1-4H2
InChIKeyDMCSYMOYWQSEJI-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.88
Rot. Bonds

About 2,4-diazatricyclo[5.2.1.02,6]dec-3-ene

2,4-diazatricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 90837373) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,4-diazatricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name2,4-diazatricyclo[5.2.1.02,6]dec-3-ene
PubChem CID90837373
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,4-diazatricyclo[5.2.1.02,6]dec-3-ene
SMILESC1=NCC2C3CCC(C3)N12
InChIInChI=1S/C8H12N2/c1-2-7-3-6(1)8-4-9-5-10(7)8/h5-8H,1-4H2
InChIKeyDMCSYMOYWQSEJI-UHFFFAOYSA-N
XLogP0.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine
CID 153219055
3-(4-ethynylcyclohexyl)-4,5-dihydroimidazole-4-carboxylic acid
CID 130256342
2,5-diazatricyclo[6.2.1.02,7]undecane
CID 74874734
(1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione
CID 146096855
(4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane
CID 129108201
(1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane
CID 89142286
5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane
CID 88971570
(3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine
CID 129452746
2-tert-butyl-3-phenyl-2-azabicyclo[2.2.1]heptane
CID 157105179
(1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol
CID 124932656

Frequently Asked Questions

What is the IUPAC name of 2,4-diazatricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of 2,4-diazatricyclo[5.2.1.02,6]dec-3-ene (CID 90837373) is 2,4-diazatricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for 2,4-diazatricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for 2,4-diazatricyclo[5.2.1.02,6]dec-3-ene is C1=NCC2C3CCC(C3)N12.
What is the InChIKey of 2,4-diazatricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is DMCSYMOYWQSEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7-3-6(1)8-4-9-5-10(7)8/h5-8H,1-4H2.
What are the key properties of 2,4-diazatricyclo[5.2.1.02,6]dec-3-ene?
2,4-diazatricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 136.20 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diazatricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 90837373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).