1-Indanone, 2-(3-pyridylmethylene)-
Basic information
- CAS
4875-90-5- Standard SMILES
O=C1C(=Cc2cccnc2)Cc2ccccc21- InChIKey
UCAONOPVOXJPQZ-UHFFFAOYSA-N- Molecular formula
- C15H11NO
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.08406397
Names & identifiers
- Preferred name
- 1-Indanone, 2-(3-pyridylmethylene)-
- IUPAC
- 2-(pyridin-3-ylmethylidene)-3H-inden-1-one
Names & synonyms
4875-90-51-Indanone, 2-(3-pyridylmethylene)-RefChem:10556342-(3-Picolylidene)-1-indanone2-(3-Pyridylmethylene)1-indanoneNSC 247999BRN 15298345-21-09-00155 (Beilstein Handbook Reference)2-(pyridin-3-ylmethylidene)-3H-inden-1-oneDTXSID401385061
Database identifiers
- CAS
4875-90-5- PubChem CID
- 99880
- DTXSID
DTXSID401385061
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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