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

C16H25N2O3W- — CID 156867041

IUPACN-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;tungsten
SMILESCC.CC.O=C1CCC(NC(=O)C2=CCCC=[C-]2)C(=O)N1.[W]
InChIInChI=1S/C12H13N2O3.2C2H6.W/c15-10-7-6-9(12(17)14-10)13-11(16)8-4-2-1-3-5-8;2*1-2;/h2,5,9H,1,3,6-7H2,(H,13,16)(H,14,15,17);2*1-2H3;/q-1;;;
InChIKeyHUJINXCFEMOLGV-UHFFFAOYSA-N
MW477.23 g/mol
LogP2.04
Rot. Bonds2

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

N-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;tungsten (PubChem CID 156867041) has the molecular formula C16H25N2O3W- and a molecular weight of 477.23 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;tungsten.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;tungsten
PubChem CID156867041
Molecular FormulaC16H25N2O3W-
Molecular Weight477.23 g/mol
Exact Mass477.14
IUPAC NameN-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;tungsten
SMILESCC.CC.O=C1CCC(NC(=O)C2=CCCC=[C-]2)C(=O)N1.[W]
InChIInChI=1S/C12H13N2O3.2C2H6.W/c15-10-7-6-9(12(17)14-10)13-11(16)8-4-2-1-3-5-8;2*1-2;/h2,5,9H,1,3,6-7H2,(H,13,16)(H,14,15,17);2*1-2H3;/q-1;;;
InChIKeyHUJINXCFEMOLGV-UHFFFAOYSA-N
XLogP2.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.23
LogP ≤ 52.04
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 N-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;tungsten?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;tungsten (CID 156867041) is N-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;tungsten.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;tungsten?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;tungsten is CC.CC.O=C1CCC(NC(=O)C2=CCCC=[C-]2)C(=O)N1.[W].
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;tungsten?
The InChIKey is HUJINXCFEMOLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2O3.2C2H6.W/c15-10-7-6-9(12(17)14-10)13-11(16)8-4-2-1-3-5-8;2*1-2;/h2,5,9H,1,3,6-7H2,(H,13,16)(H,14,15,17);2*1-2H3;/q-1;;;.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;tungsten?
N-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;tungsten has a molecular weight of 477.23 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;tungsten is sourced from PubChem (CID 156867041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).