(2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten

C15H22N3O4W- — CID 156729493

IUPAC(2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten
SMILESC=C(/C=C(\[C-]=C\C)C(=O)NC1CCC(=O)NC1=O)OC.CN.[W]
InChIInChI=1S/C14H17N2O4.CH5N.W/c1-4-5-10(8-9(2)20-3)13(18)15-11-6-7-12(17)16-14(11)19;1-2;/h4,8,11H,2,6-7H2,1,3H3,(H,15,18)(H,16,17,19);2H2,1H3;/q-1;;/b10-8+;;
InChIKeyJCEKJPYWQRDKKB-PIHABLKOSA-N
MW492.20 g/mol
LogP-0.05
Rot. Bonds5

About (2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten

(2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten (PubChem CID 156729493) has the molecular formula C15H22N3O4W- and a molecular weight of 492.20 g/mol. Its IUPAC name is (2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten.

Molecular Properties

Compound Name(2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten
PubChem CID156729493
Molecular FormulaC15H22N3O4W-
Molecular Weight492.20 g/mol
Exact Mass492.11
IUPAC Name(2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten
SMILESC=C(/C=C(\[C-]=C\C)C(=O)NC1CCC(=O)NC1=O)OC.CN.[W]
InChIInChI=1S/C14H17N2O4.CH5N.W/c1-4-5-10(8-9(2)20-3)13(18)15-11-6-7-12(17)16-14(11)19;1-2;/h4,8,11H,2,6-7H2,1,3H3,(H,15,18)(H,16,17,19);2H2,1H3;/q-1;;/b10-8+;;
InChIKeyJCEKJPYWQRDKKB-PIHABLKOSA-N
XLogP-0.05
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten?
The IUPAC name of (2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten (CID 156729493) is (2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten.
What is the SMILES notation for (2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten?
The canonical SMILES for (2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten is C=C(/C=C(\[C-]=C\C)C(=O)NC1CCC(=O)NC1=O)OC.CN.[W].
What is the InChIKey of (2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten?
The InChIKey is JCEKJPYWQRDKKB-PIHABLKOSA-N. The full InChI is InChI=1S/C14H17N2O4.CH5N.W/c1-4-5-10(8-9(2)20-3)13(18)15-11-6-7-12(17)16-14(11)19;1-2;/h4,8,11H,2,6-7H2,1,3H3,(H,15,18)(H,16,17,19);2H2,1H3;/q-1;;/b10-8+;;.
What are the key properties of (2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten?
(2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten has a molecular weight of 492.20 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-prop-1-enylpenta-2,4-dienamide;methanamine;tungsten is sourced from PubChem (CID 156729493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).