Basic information
- Standard SMILES
O=C(O)CCCCCCCCCCn1cccc1- InChIKey
RCBJPUNFMOQCAC-UHFFFAOYSA-N- Molecular formula
- C15H25NO2
- Average molar mass
- 251.36 g/mol
- Monoisotopic mass
- 251.18852904
Names & identifiers
- Preferred name
- 11-Pyrrol-1-yl-undecanoic acid
- IUPAC
- 11-pyrrol-1-ylundecanoic acid
Names & synonyms
SCHEMBL228758111-pyrrol-1-yl-undecanoic acidRCBJPUNFMOQCAC-UHFFFAOYSA-N11-(1-pyrrolyl)undecan-1-oic acid
Database identifiers
- PubChem CID
- 67349574
- Nikkaji
- J1.868.892A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 213
Related reactions
1 records
Compound notes
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