1H-Pyrrolo(1,2-c)imidazole-5-carboxylic acid, hexahydro-2-(m-chlorophenyl)-1,3-dioxo-
Basic information
- CAS
52832-50-5- Standard SMILES
O=C(O)C1CCC2C(=O)N(c3cccc(Cl)c3)C(=O)N12- InChIKey
IVTKQZMFTPOEAG-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O4
- Average molar mass
- 294.69 g/mol
- Monoisotopic mass
- 294.0407345
Names & identifiers
- Preferred name
- 1H-Pyrrolo(1,2-c)imidazole-5-carboxylic acid, hexahydro-2-(m-chlorophenyl)-1,3-dioxo-
- IUPAC
- 2-(3-chlorophenyl)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-5-carboxylic acid
Names & synonyms
BRN 092826652832-50-52-(m-Chlorophenyl)-1,3-dioxohexahydro-1H-pyrrolo(1,2-c)imidazole-5-carboxylic acid1H-Pyrrolo(1,2-c)imidazole-5-carboxylic acid, hexahydro-2-(m-chlorophenyl)-1,3-dioxo-RefChem:2407692-(3-Chlorophenyl)-1,3-dioxohexahydro-1H-pyrrolo[1,2-c]imidazole-5-carboxylic acidSCHEMBL11822193DTXSID30967298
Database identifiers
- CAS
52832-50-5- PubChem CID
- 3040682
- DTXSID
DTXSID30967298
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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