Basic information
- CAS
94386-22-8- Standard SMILES
O=C1/C(=C/c2ccc[nH]2)CCC/C1=C\c1ccc[nH]1- InChIKey
UKIUACHVRRQMGB-DCIPZJNNSA-N- Molecular formula
- C16H16N2O
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.12626314
Names & identifiers
- Preferred name
- 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexan-1-one
- IUPAC
- (2E,6E)-2,6-bis(1H-pyrrol-2-ylmethylidene)cyclohexan-1-one
Names & synonyms
94386-22-8EINECS 305-244-42,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexan-1-oneRefChem:248004305-244-4CHEMBL31047032,6-Bis((1H-pyrrol-2-yl)methylene)cyclohexan-1-oneUKIUACHVRRQMGB-DCIPZJNNSA-NBDBM50445451NS00066417
Database identifiers
- CAS
94386-22-8- PubChem CID
- 6445552
- ChEMBL
CHEMBL3104703- EC Number
- 305-244-4
- Nikkaji
- J3.473.946C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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