2-Pyrrolidinone, 1-benzoyl-2-(1-methylbutoxy)-, (+-)-
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Basic information
- CAS
136410-19-0- Standard SMILES
CCCC(C)OC1CCC(=O)N1C(=O)c1ccccc1- InChIKey
DMNANXGXENPULZ-UHFFFAOYSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
- Monoisotopic mass
- 275.15214353
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 1-benzoyl-2-(1-methylbutoxy)-, (+-)-
- IUPAC
- 1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one
Names & synonyms
BRN 4755386(+-)-1-Benzoyl-2-(1-methylbutoxy)-2-pyrrolidinone2-Pyrrolidinone, 1-benzoyl-2-(1-methylbutoxy)-, (+-)-136410-19-0RefChem:266873SCHEMBL9821138DTXSID60929405DMNANXGXENPULZ-UHFFFAOYSA-N1-benzoyl 5-(2-pentyloxy) pyrrolidin-2-one1-Benzoyl-5-[(pentan-2-yl)oxy]pyrrolidin-2-one
Database identifiers
- CAS
136410-19-0- PubChem CID
- 3077950
- DTXSID
DTXSID60929405- Nikkaji
- J423.539H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
2 records
Compound notes
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