Basic information
- CAS
146204-56-0- Standard SMILES
Cc1c(CN2CCCC2)cc(-c2ccc(Cl)cc2)n1-c1ccc([N+](=O)[O-])cc1- InChIKey
JWSYMXQTCIFADQ-UHFFFAOYSA-N- Molecular formula
- C22H22ClN3O2
- Average molar mass
- 395.9 g/mol
- Monoisotopic mass
- 395.1400546
Names & identifiers
- Preferred name
- 1H-Pyrrole, 5-(4-chlorophenyl)-2-methyl-1-(4-nitrophenyl)-3-(1-pyrrolidinylmethyl)-
- IUPAC
- 5-(4-chlorophenyl)-2-methyl-1-(4-nitrophenyl)-3-(pyrrolidin-1-ylmethyl)pyrrole
Names & synonyms
1H-Pyrrole, 5-(4-chlorophenyl)-2-methyl-1-(4-nitrophenyl)-3-(1-pyrrolidinylmethyl)-146204-56-0DTXSID901633155-(4-chlorophenyl)-2-methyl-1-(4-nitrophenyl)-3-(pyrrolidin-1-ylmethyl)pyrrole5-(4-chlorophenyl)-2-methyl-1-(4-nitrophenyl)-3-[(pyrrolidin-1-yl)methyl]-1H-pyrrole
Database identifiers
- CAS
146204-56-0- PubChem CID
- 456940
- DTXSID
DTXSID90163315- Nikkaji
- J518.449E
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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