ethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten

C15H21N2O3W- — CID 155583810

IUPACethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten
SMILESCC.CC1(NC(=O)C2=CCCC=[C-]2)CCC(=O)NC1=O.[W]
InChIInChI=1S/C13H15N2O3.C2H6.W/c1-13(8-7-10(16)14-12(13)18)15-11(17)9-5-3-2-4-6-9;1-2;/h3,6H,2,4,7-8H2,1H3,(H,15,17)(H,14,16,18);1-2H3;/q-1;;
InChIKeyXYYGUIJUXSUQPJ-UHFFFAOYSA-N
MW461.18 g/mol
LogP1.40
Rot. Bonds2

About ethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten

ethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten (PubChem CID 155583810) has the molecular formula C15H21N2O3W- and a molecular weight of 461.18 g/mol. Its IUPAC name is ethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten.

Molecular Properties

Compound Nameethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten
PubChem CID155583810
Molecular FormulaC15H21N2O3W-
Molecular Weight461.18 g/mol
Exact Mass461.11
IUPAC Nameethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten
SMILESCC.CC1(NC(=O)C2=CCCC=[C-]2)CCC(=O)NC1=O.[W]
InChIInChI=1S/C13H15N2O3.C2H6.W/c1-13(8-7-10(16)14-12(13)18)15-11(17)9-5-3-2-4-6-9;1-2;/h3,6H,2,4,7-8H2,1H3,(H,15,17)(H,14,16,18);1-2H3;/q-1;;
InChIKeyXYYGUIJUXSUQPJ-UHFFFAOYSA-N
XLogP1.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.18
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten?
The IUPAC name of ethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten (CID 155583810) is ethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten.
What is the SMILES notation for ethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten?
The canonical SMILES for ethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten is CC.CC1(NC(=O)C2=CCCC=[C-]2)CCC(=O)NC1=O.[W].
What is the InChIKey of ethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten?
The InChIKey is XYYGUIJUXSUQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2O3.C2H6.W/c1-13(8-7-10(16)14-12(13)18)15-11(17)9-5-3-2-4-6-9;1-2;/h3,6H,2,4,7-8H2,1H3,(H,15,17)(H,14,16,18);1-2H3;/q-1;;.
What are the key properties of ethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten?
ethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten has a molecular weight of 461.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;tungsten is sourced from PubChem (CID 155583810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).