5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum

C16H19LaNO2Ta-2 — CID 58710140

IUPAC5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum
SMILESCc1[c-][n-]c(=O)c(C(=O)/C=C/C2CCCCC2)c1C.[La].[Ta]
InChIInChI=1S/C16H19NO2.La.Ta/c1-11-10-17-16(19)15(12(11)2)14(18)9-8-13-6-4-3-5-7-13;;/h8-9,13H,3-7H2,1-2H3;;/q-2;;/b9-8+;;
InChIKeyDSDVYFYZTSWANF-YEUQMBKVSA-N
MW577.19 g/mol
LogP2.74
Rot. Bonds3

About 5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum

5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum (PubChem CID 58710140) has the molecular formula C16H19LaNO2Ta-2 and a molecular weight of 577.19 g/mol. Its IUPAC name is 5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum.

Molecular Properties

Compound Name5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum
PubChem CID58710140
Molecular FormulaC16H19LaNO2Ta-2
Molecular Weight577.19 g/mol
Exact Mass577.00
IUPAC Name5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum
SMILESCc1[c-][n-]c(=O)c(C(=O)/C=C/C2CCCCC2)c1C.[La].[Ta]
InChIInChI=1S/C16H19NO2.La.Ta/c1-11-10-17-16(19)15(12(11)2)14(18)9-8-13-6-4-3-5-7-13;;/h8-9,13H,3-7H2,1-2H3;;/q-2;;/b9-8+;;
InChIKeyDSDVYFYZTSWANF-YEUQMBKVSA-N
XLogP2.74
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.19
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum?
The IUPAC name of 5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum (CID 58710140) is 5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum.
What is the SMILES notation for 5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum?
The canonical SMILES for 5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum is Cc1[c-][n-]c(=O)c(C(=O)/C=C/C2CCCCC2)c1C.[La].[Ta].
What is the InChIKey of 5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum?
The InChIKey is DSDVYFYZTSWANF-YEUQMBKVSA-N. The full InChI is InChI=1S/C16H19NO2.La.Ta/c1-11-10-17-16(19)15(12(11)2)14(18)9-8-13-6-4-3-5-7-13;;/h8-9,13H,3-7H2,1-2H3;;/q-2;;/b9-8+;;.
What are the key properties of 5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum?
5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum has a molecular weight of 577.19 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum is sourced from PubChem (CID 58710140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).