Furan malononitrile pyrrole | SBID = 2397 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 80.6
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 2.13
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula:
M / g/mol:
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical host
  • Name: Furan malononitrile pyrrole
  • Preferred Abbreviation: 2-(3-cyano-5,5-diethyl-4-(prop-1-en-1-yl)furan-2(5H)-ylidene)malononitrile
  • IUPAC Name:
  • CAS:
  • CID: -1000
  • InChiKey:
  • InChi:
  • CanoSmiles:
  • IsoSmiles: CCC(O/1)(CC)C(/C=C/C2=C(C(C)(C)C3=CC=C(C(C)(C)C4=CC=C(C(C)(C)C5=CC=C(C6(C)C)N5)N4)N3)NC6=C2)=C(C#N)C1=C(C#N)/C#N