Pyrrolidine, 1-(1-oxoheptadecyl)-
Basic information
- CAS
56630-54-7- Standard SMILES
CCCCCCCCCCCCCCCCC(=O)N1CCCC1- InChIKey
HGOPYGUCWZFCID-UHFFFAOYSA-N- Molecular formula
- C21H41NO
- Average molar mass
- 323.6 g/mol
- Monoisotopic mass
- 323.31881493
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(1-oxoheptadecyl)-
- IUPAC
- 1-pyrrolidin-1-ylheptadecan-1-one
- English name
- 1-(Heptadecanoyl)pyrrolidine
- Molecular formula
- C21H41NO
- Molecular weight
- 323.56
Names & synonyms
Pyrrolidine, 1-(1-oxoheptadecyl)-56630-54-71-Heptadecanoylpyrrolidine1-(Heptadecanoyl)pyrrolidine1-(PYRROLIDIN-1-YL)HEPTADECAN-1-ONE1-Heptadecanoylpyrrolidine #SCHEMBL28152342DTXSID80341645HGOPYGUCWZFCID-UHFFFAOYSA-NDB-311221Q634086511-Heptadecanone, 1-(1-pyrrolidinyl)-
Database identifiers
- CAS
56630-54-7- PubChem CID
- 574649
- DTXSID
DTXSID80341645- Nikkaji
- J47.951I
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 271
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Compound notes
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