2-(3-Cyano-4,9,9-trimethyl-1,9a-dihydropyrrolo[3,2-b]quinolin-2-ylidene)propanedinitrile
Basic information
- CAS
63827-46-3- Standard SMILES
CN1C2=C(C#N)C(=C(C#N)C#N)NC2C(C)(C)c2ccccc21- InChIKey
URMLGWWWKYBVDQ-UHFFFAOYSA-N- Molecular formula
- C18H15N5
- Average molar mass
- 301.3 g/mol
- Monoisotopic mass
- 301.1327455
Names & identifiers
- Preferred name
- 2-(3-Cyano-4,9,9-trimethyl-1,9a-dihydropyrrolo[3,2-b]quinolin-2-ylidene)propanedinitrile
- IUPAC
- 2-(3-cyano-4,9,9-trimethyl-1,9a-dihydropyrrolo[3,2-b]quinolin-2-ylidene)propanedinitrile
- English name
- 2-(3-cyano-4,9,9-trimethyl-1,4,9,9a-tetrahydro-2H-pyrrolo[3,2-b]quinolin-2-ylidene)malononitrile
- Molecular formula
- C18H15N5
- Molecular weight
- 301.3452
Names & synonyms
63827-46-32-(3-cyano-4,9,9-trimethyl-1,9a-dihydropyrrolo[3,2-b]quinolin-2-ylidene)propanedinitrile2-(3-cyano-4,9,9-trimethyl-1,4,9,9a-tetrahydro-2H-pyrrolo[3,2-b]quinolin-2-ylidene)malononitrileAO-079/15259274NSC305517Oprea1_013724DTXSID80316671NSC-305517(3-Cyano-4,9,9-trimethyl-1,4,9,9a-tetrahydro-2H-pyrrolo[3,2-b]quinolin-2-ylidene)propanedinitrile
Database identifiers
- CAS
63827-46-3- PubChem CID
- 328080
- DTXSID
DTXSID80316671
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 739
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Compound notes
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