carbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium

C15H21FNOPd- — CID 177218691

IUPACcarbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium
SMILESC/C=C(\N=C\CC)C(O)c1cccc(F)c1C.[CH3-].[Pd]
InChIInChI=1S/C14H18FNO.CH3.Pd/c1-4-9-16-13(5-2)14(17)11-7-6-8-12(15)10(11)3;;/h5-9,14,17H,4H2,1-3H3;1H3;/q;-1;/b13-5-,16-9+;;
InChIKeyBWGDKFDNISMADI-CMISQVOQSA-N
MW356.76 g/mol
LogP4.00
Rot. Bonds4

About carbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium

carbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium (PubChem CID 177218691) has the molecular formula C15H21FNOPd- and a molecular weight of 356.76 g/mol. Its IUPAC name is carbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium.

Molecular Properties

Compound Namecarbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium
PubChem CID177218691
Molecular FormulaC15H21FNOPd-
Molecular Weight356.76 g/mol
Exact Mass356.06
IUPAC Namecarbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium
SMILESC/C=C(\N=C\CC)C(O)c1cccc(F)c1C.[CH3-].[Pd]
InChIInChI=1S/C14H18FNO.CH3.Pd/c1-4-9-16-13(5-2)14(17)11-7-6-8-12(15)10(11)3;;/h5-9,14,17H,4H2,1-3H3;1H3;/q;-1;/b13-5-,16-9+;;
InChIKeyBWGDKFDNISMADI-CMISQVOQSA-N
XLogP4.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium?
The IUPAC name of carbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium (CID 177218691) is carbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium.
What is the SMILES notation for carbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium?
The canonical SMILES for carbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium is C/C=C(\N=C\CC)C(O)c1cccc(F)c1C.[CH3-].[Pd].
What is the InChIKey of carbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium?
The InChIKey is BWGDKFDNISMADI-CMISQVOQSA-N. The full InChI is InChI=1S/C14H18FNO.CH3.Pd/c1-4-9-16-13(5-2)14(17)11-7-6-8-12(15)10(11)3;;/h5-9,14,17H,4H2,1-3H3;1H3;/q;-1;/b13-5-,16-9+;;.
What are the key properties of carbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium?
carbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium has a molecular weight of 356.76 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium is sourced from PubChem (CID 177218691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).