2-Pyrrolidinone, 1-((4-nitrophenyl)methyl)-5-(octyloxy)-, (+-)-
Basic information
- CAS
136410-40-7- Standard SMILES
CCCCCCCCOC1CCC(=O)N1Cc1ccc([N+](=O)[O-])cc1- InChIKey
NKYOQOVRVMXJHG-UHFFFAOYSA-N- Molecular formula
- C19H28N2O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.20490738
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 1-((4-nitrophenyl)methyl)-5-(octyloxy)-, (+-)-
- IUPAC
- 1-[(4-nitrophenyl)methyl]-5-octoxypyrrolidin-2-one
Names & synonyms
BRN 4764869(+-)-1-((4-Nitrophenyl)methyl)-5-(octyloxy)-2-pyrrolidinone136410-40-72-Pyrrolidinone, 1-((4-nitrophenyl)methyl)-5-(octyloxy)-, (+-)-RefChem:266805SCHEMBL9820641DTXSID209294261-[(4-NITROPHENYL)METHYL]-5-(OCTYLOXY)PYRROLIDIN-2-ONE
Database identifiers
- CAS
136410-40-7- PubChem CID
- 3077971
- DTXSID
DTXSID20929426- Nikkaji
- J423.561D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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