Basic information
- CAS
65242-25-3- Standard SMILES
N#CC(C#N)=CC1=C(N2CCCC2)CCCC1- InChIKey
IOUIJVOEWWITCG-UHFFFAOYSA-N- Molecular formula
- C14H17N3
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.14224756
Names & identifiers
- Preferred name
- ST040432
- IUPAC
- 2-[(2-pyrrolidin-1-ylcyclohexen-1-yl)methylidene]propanedinitrile
Names & synonyms
65242-25-3ST040432DTXSID70352629RefChem:381363DTXCID50303694Propanedinitrile, [[2-(1-pyrrolidinyl)-1-cyclohexen-1-yl]methylene]-{[2-(pyrrolidin-1-yl)cyclohex-1-en-1-yl]methylidene}propanedinitrileHMS1687D17STK050540AKOS000487084SR-01000320495SR-01000320495-1
Show more names
2-[(2-pyrrolidin-1-yl-1-cyclohexenyl)methylene]malononitrile[(2-pyrrolidinylcyclohex-1-enyl)methylene]methane-1,1-dicarbonitrile2-[(2-pyrrolidin-1-yl-1-cyclohexenyl)-methylene]-propanedinitrile
Database identifiers
- CAS
65242-25-3- PubChem CID
- 730448
- DTXSID
DTXSID70352629
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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