Basic information
- CAS
1334784-75-6- Standard SMILES
Cc1nccc(-c2ccc3c(c2)CCC3=O)n1- InChIKey
RNWLCTGJWVYGLY-UHFFFAOYSA-N- Molecular formula
- C14H12N2O
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.09496301
Names & identifiers
- Preferred name
- 2,3-Dihydro-5-(2-methyl-4-pyrimidinyl)-1H-inden-1-one
- IUPAC
- 5-(2-methylpyrimidin-4-yl)-2,3-dihydroinden-1-one
Names & synonyms
1334784-75-65-(2-Methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-oneSCHEMBL24484072,3-Dihydro-5-(2-methyl-4-pyrimidinyl)-1H-inden-1-oneDTXSID201215014
Database identifiers
- CAS
1334784-75-6- PubChem CID
- 58438496
- DTXSID
DTXSID201215014
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…