Pyrrol-2(5H)-one, 4-acetyl-3-hydroxy-5-(3-nitrophenyl)-1-[2-(1-piperazinyl)ethyl]-
Basic information
- CAS
5949-14-4- Standard SMILES
CC(=O)C1=C(O)C(=O)N(CCN2CCNCC2)C1c1cccc([N+](=O)[O-])c1- InChIKey
CBWGDUQESSYDDK-UHFFFAOYSA-N- Molecular formula
- C18H22N4O5
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.15901982
Names & identifiers
- Preferred name
- Pyrrol-2(5H)-one, 4-acetyl-3-hydroxy-5-(3-nitrophenyl)-1-[2-(1-piperazinyl)ethyl]-
- IUPAC
- 3-acetyl-4-hydroxy-2-(3-nitrophenyl)-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one
Names & synonyms
Pyrrol-2(5H)-one, 4-acetyl-3-hydroxy-5-(3-nitrophenyl)-1-[2-(1-piperazinyl)ethyl]-5949-14-44-acetyl-3-hydroxy-5-(3-nitrophenyl)-1-[2-(piperazin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one4-Acetyl-3-hydroxy-5-(3-nitrophenyl)-1-[2-(1-piperazinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one4-acetyl-3-hydroxy-5-{3-nitrophenyl}-1-[2-(1-piperazinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-oneCBMicro_038711Cambridge id 59491443-acetyl-4-hydroxy-2-(3-nitrophenyl)-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-oneDTXSID60340772CBWGDUQESSYDDK-UHFFFAOYSA-NSTK676422AKOS000566830
Show more names
AKOS024281993ST050390BIM-0038591.P001AB00101611-01AG-205/13456012SR-01000529210SR-01000529210-13-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-1-(2-piperazinylethyl)-3-pyrroline
Database identifiers
- CAS
5949-14-4- PubChem CID
- 567243
- DTXSID
DTXSID60340772
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 638
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Compound notes
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