Basic information
- CAS
101756-34-7- Standard SMILES
N#CC(C#N)=CCCc1c[nH]c2ccccc12- InChIKey
IIANQTNBCMWVJB-UHFFFAOYSA-N- Molecular formula
- C14H11N3
- Average molar mass
- 221.26 g/mol
- Monoisotopic mass
- 221.09529736
Names & identifiers
- Preferred name
- Malononitrile, (3-indolyl)propenylidene-
- IUPAC
- 2-[3-(1H-indol-3-yl)propylidene]propanedinitrile
Names & synonyms
(3-Indolyl)propenylidenemalononitrileMALONONITRILE, (3-INDOLYL)PROPENYLIDENE-101756-34-7DTXSID10144166RefChem:351865DTXCID1066657[3-(1h-indol-3-yl)propylidene]propanedinitrile
Database identifiers
- CAS
101756-34-7- PubChem CID
- 58852
- DTXSID
DTXSID10144166
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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