(Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one

C17H26F3NO — CID 176969437

IUPAC(Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one
SMILESC/C=C(\N=C\C(=C/C)C(F)(F)F)C(CCC)CC(=O)CCC
InChIInChI=1S/C17H26F3NO/c1-5-9-13(11-15(22)10-6-2)16(8-4)21-12-14(7-3)17(18,19)20/h7-8,12-13H,5-6,9-11H2,1-4H3/b14-7+,16-8-,21-12+
InChIKeyFPMQSSUXUOWNFJ-RGNSSBGVSA-N
MW317.39 g/mol
LogP5.65
Rot. Bonds9

About (Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one

(Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one (PubChem CID 176969437) has the molecular formula C17H26F3NO and a molecular weight of 317.39 g/mol. Its IUPAC name is (Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one.

Molecular Properties

Compound Name(Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one
PubChem CID176969437
Molecular FormulaC17H26F3NO
Molecular Weight317.39 g/mol
Exact Mass317.20
IUPAC Name(Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one
SMILESC/C=C(\N=C\C(=C/C)C(F)(F)F)C(CCC)CC(=O)CCC
InChIInChI=1S/C17H26F3NO/c1-5-9-13(11-15(22)10-6-2)16(8-4)21-12-14(7-3)17(18,19)20/h7-8,12-13H,5-6,9-11H2,1-4H3/b14-7+,16-8-,21-12+
InChIKeyFPMQSSUXUOWNFJ-RGNSSBGVSA-N
XLogP5.65
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one?
The IUPAC name of (Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one (CID 176969437) is (Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one.
What is the SMILES notation for (Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one?
The canonical SMILES for (Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one is C/C=C(\N=C\C(=C/C)C(F)(F)F)C(CCC)CC(=O)CCC.
What is the InChIKey of (Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one?
The InChIKey is FPMQSSUXUOWNFJ-RGNSSBGVSA-N. The full InChI is InChI=1S/C17H26F3NO/c1-5-9-13(11-15(22)10-6-2)16(8-4)21-12-14(7-3)17(18,19)20/h7-8,12-13H,5-6,9-11H2,1-4H3/b14-7+,16-8-,21-12+.
What are the key properties of (Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one?
(Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one has a molecular weight of 317.39 g/mol, XLogP of 5.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one is sourced from PubChem (CID 176969437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).