Basic information
- CAS
108580-11-6- Standard SMILES
CCCCCCCCCCCC(=O)c1cc[nH]c1- InChIKey
CRGPDAFGMYENEW-UHFFFAOYSA-N- Molecular formula
- C16H27NO
- Average molar mass
- 249.39 g/mol
- Monoisotopic mass
- 249.20926449
Names & identifiers
- Preferred name
- 1-(1H-Pyrrol-3-yl)dodecan-1-one
- IUPAC
- 1-(1H-pyrrol-3-yl)dodecan-1-one
Names & synonyms
1-(1H-PYRROL-3-YL)DODECAN-1-ONE108580-11-6DTXSID80597928RefChem:222665DTXCID305486873-dodecanoylpyrroleSCHEMBL4527437AKOS014785470
Database identifiers
- CAS
108580-11-6- PubChem CID
- 19086480
- DTXSID
DTXSID80597928- Nikkaji
- J1.777.047K
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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