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Basic information
- CAS
74023-87-3- Standard SMILES
N#Cc1c[nH]c(C#N)c1- InChIKey
RYQGPAMUUQAEEM-UHFFFAOYSA-N- Molecular formula
- C6H3N3
- Average molar mass
- 117.11 g/mol
- Monoisotopic mass
- 117.0326971
Names & identifiers
- Preferred name
- 1H-Pyrrole-2,4-dicarbonitrile
- IUPAC
- 1H-pyrrole-2,4-dicarbonitrile
Names & synonyms
1H-Pyrrole-2,4-dicarbonitrile74023-87-32,4-Dicyanopyrrole2,4-dicyano-pyrroleSCHEMBL2758881H-pyrrol-2,4-dikohlenitrileDTXSID103418101H-Pyrrole-2,4-dicarbonitrile #AKOS006348961SB62926DA-29337
Database identifiers
- CAS
74023-87-3- PubChem CID
- 575905
- DTXSID
DTXSID10341810- Nikkaji
- J2.659.969E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 191
Related reactions
7 records
Compound notes
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