(2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide

C15H20N2O5 — CID 170705296

IUPAC(2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide
SMILESC=C/C(C(=O)N(C)C(C=O)CCC(=O)NC)=C(/C=O)C(=C)O
InChIInChI=1S/C15H20N2O5/c1-5-12(13(9-19)10(2)20)15(22)17(4)11(8-18)6-7-14(21)16-3/h5,8-9,11,20H,1-2,6-7H2,3-4H3,(H,16,21)/b13-12+
InChIKeyHWMJORTYFAINMZ-OUKQBFOZSA-N
MW308.33 g/mol
LogP0.29
Rot. Bonds9

About (2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide

(2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide (PubChem CID 170705296) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is (2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide
PubChem CID170705296
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name(2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide
SMILESC=C/C(C(=O)N(C)C(C=O)CCC(=O)NC)=C(/C=O)C(=C)O
InChIInChI=1S/C15H20N2O5/c1-5-12(13(9-19)10(2)20)15(22)17(4)11(8-18)6-7-14(21)16-3/h5,8-9,11,20H,1-2,6-7H2,3-4H3,(H,16,21)/b13-12+
InChIKeyHWMJORTYFAINMZ-OUKQBFOZSA-N
XLogP0.29
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide?
The IUPAC name of (2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide (CID 170705296) is (2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide.
What is the SMILES notation for (2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide?
The canonical SMILES for (2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide is C=C/C(C(=O)N(C)C(C=O)CCC(=O)NC)=C(/C=O)C(=C)O.
What is the InChIKey of (2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide?
The InChIKey is HWMJORTYFAINMZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-5-12(13(9-19)10(2)20)15(22)17(4)11(8-18)6-7-14(21)16-3/h5,8-9,11,20H,1-2,6-7H2,3-4H3,(H,16,21)/b13-12+.
What are the key properties of (2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide?
(2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide has a molecular weight of 308.33 g/mol, XLogP of 0.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethenyl-3-formyl-4-hydroxy-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]penta-2,4-dienamide is sourced from PubChem (CID 170705296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).