chempirical

1,5-Diazabicyclo(4.3.0)non-5-ene

C7H12N2CAS 3001-72-7124.19 g/mol

Open in Covalent MOL file
NN
Amidine

Properties

Molecular formula
C7H12N2
Molar mass
124.19 g/mol
Exact mass
124.1000 Da
Boiling point
97–99 °C (at 11 Torr)
logP
0.88Crippen estimate
Polar surface area
15.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
3001-72-7
SMILES
C1CN=C2CCCN2C1
InChIKey
SGUVLZREKBPKCE-UHFFFAOYSA-N
InChI
InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Pyrrolo[1,2-a]pyrimidine, 2,3,4,6,7,8-hexahydro-
  • 2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine
  • DBN
  • DBN (heterocycle)
  • 1,5-Diazabicyclo[4.3.0]non-5-ene
  • 1,5-Diazobicyclo[4.3.0]non-5-ene
  • NSC 118106
  • NBU
  • 1,5-Diazabicyclo[4.3.0]nonene-5
  • D 1313
  • WS-A 201
  • 2H,3H,4H,6H,7H,8H-Pyrrolo[1,2-a]pyrimidine

Work with 1,5-Diazabicyclo(4.3.0)non-5-ene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,8-Diazabicyclo(5.4.0)undec-7-ene6674-22-282 % similar 7-Methyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene84030-20-645 % similar 1,4,5,6-Tetrahydro-1,2-dimethylpyrimidine4271-96-938 % similar 2-(8-Heptadecen-1-yl)-4,5-dihydro-1H-imidazole-1-ethanol95-38-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Pyrrolidinepropanenitrile26165-45-7 1-Piperidineacetonitrile3010-03-5 Butylimidazole4316-42-1 2-Methyl-1-(1-methylethyl)-1H-imidazole84606-45-1

Elsewhere

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