1-(Pyrrolidin-1-yl)tridecan-1-one
Basic information
- CAS
70974-46-8- Standard SMILES
CCCCCCCCCCCCC(=O)N1CCCC1- InChIKey
MMVXEDLBCRDEAG-UHFFFAOYSA-N- Molecular formula
- C17H33NO
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.25621468
Names & identifiers
- Preferred name
- 1-(Pyrrolidin-1-yl)tridecan-1-one
- IUPAC
- 1-pyrrolidin-1-yltridecan-1-one
Names & synonyms
70974-46-8NSC 1950241-(pyrrolidin-1-yl)tridecan-1-oneNSC195024Tridecanoic acid, pyrrolidideSCHEMBL28149836DTXSID70307775MMVXEDLBCRDEAG-UHFFFAOYSA-NNSC-195024
Database identifiers
- CAS
70974-46-8- PubChem CID
- 304095
- DTXSID
DTXSID70307775
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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