(2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide

C17H19NO4 — CID 15297710

IUPAC(2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide
SMILESO=C(/C=C/C=C/C1CCCCC1)NC1=CC(=O)C2OC2C1=O
InChIInChI=1S/C17H19NO4/c19-13-10-12(15(21)17-16(13)22-17)18-14(20)9-5-4-8-11-6-2-1-3-7-11/h4-5,8-11,16-17H,1-3,6-7H2,(H,18,20)/b8-4+,9-5+
InChIKeyLIFZFYLRZJXWOJ-KBXRYBNXSA-N
MW301.34 g/mol
LogP1.60
Rot. Bonds4

About (2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide

(2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide (PubChem CID 15297710) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide
PubChem CID15297710
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name(2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide
SMILESO=C(/C=C/C=C/C1CCCCC1)NC1=CC(=O)C2OC2C1=O
InChIInChI=1S/C17H19NO4/c19-13-10-12(15(21)17-16(13)22-17)18-14(20)9-5-4-8-11-6-2-1-3-7-11/h4-5,8-11,16-17H,1-3,6-7H2,(H,18,20)/b8-4+,9-5+
InChIKeyLIFZFYLRZJXWOJ-KBXRYBNXSA-N
XLogP1.60
TPSA75.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide (CID 15297710) is (2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide is O=C(/C=C/C=C/C1CCCCC1)NC1=CC(=O)C2OC2C1=O.
What is the InChIKey of (2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide?
The InChIKey is LIFZFYLRZJXWOJ-KBXRYBNXSA-N. The full InChI is InChI=1S/C17H19NO4/c19-13-10-12(15(21)17-16(13)22-17)18-14(20)9-5-4-8-11-6-2-1-3-7-11/h4-5,8-11,16-17H,1-3,6-7H2,(H,18,20)/b8-4+,9-5+.
What are the key properties of (2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide?
(2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide has a molecular weight of 301.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-cyclohexyl-N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)penta-2,4-dienamide is sourced from PubChem (CID 15297710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).