Hexadeca-7Z-ene-10-ynoic acid pyrrolide
AlkaPlorer ID: AK004760
Synonym: '(7Z)-1-(1H-pyrrol-1-yl)hexadec-7-en-10-yn-1-one'
IUPAC Name: 1-pyrrol-1-ylhexadec-7-en-10-yn-1-one
Structure
SMILES: CCCCCC#CCC=CCCCCCC(=O)N1C=CC=C1
InChI: InChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h9-10,15-16,18-19H,2-5,8,11-14,17H2,1H3
InChIKey: ZFTGBFIOZBPMEU-UHFFFAOYSA-N
Reference
Pyrrole amides from Achillea ageratifolia
PubChem CID: 163016596
LOTUS: LTS0128509
COCONUT: CNP0292370
Source
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Properties Information
Molecule Weight: 299.4579999999999
TPSA？: 22.0
MolLogP？: 5.608800000000006
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 1
Activities Information
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