Molecule

2-Methyl-1-(1H-pyrrol-1-yl)-8-decene-1,3-dione; 2,3,8',9'-Tetrahydro

AlkaPlorer ID: AK306323

Synonym: 1-(2,3-Dihydro-1H-pyrrol-1-yl)-2-methyl-1,3-decanedione, 2,3-Dihydro-1-(2-methyl-3-oxodecanoyl)-1H-pyrrole

IUPAC Name: 1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione

SMILES: CCCCCCCC(=O)C(C)C(=O)N1C=CCC1

InChI: InChI=1S/C15H25NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h8,11,13H,3-7,9-10,12H2,1-2H3

InChIKey: HMWIYUSLKIYYER-UHFFFAOYSA-N

PubChem CID: 10037813

LOTUS: LTS0232639

NPASS: NPC328895

COCONUT: CNP0166323.1

{

NPAtlas: NPA000451

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Molecule Weight: 251.37

TPSA？: 37.38

MolLogP？: 3.2981000000000025

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	NADH-ubiquinone oxidoreductase chain 1	IC50	4550.0	nM	10.1021/jf058075f
Bos taurus	NADH-ubiquinone oxidoreductase chain 1	IC50	nan	None	10.1021/jf058075f