(2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide

C12H15NO2 — CID 143603280

IUPAC(2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide
SMILESC=C/C=C(C=O)\C(=C/C=C\C)C(=O)NC
InChIInChI=1S/C12H15NO2/c1-4-6-8-11(12(15)13-3)10(9-14)7-5-2/h4-9H,2H2,1,3H3,(H,13,15)/b6-4-,10-7-,11-8+
InChIKeyOUPQQSFYUDIAEH-VUEWJUNTSA-N
MW205.26 g/mol
LogP1.55
Rot. Bonds5

About (2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide

(2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide (PubChem CID 143603280) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide
PubChem CID143603280
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide
SMILESC=C/C=C(C=O)\C(=C/C=C\C)C(=O)NC
InChIInChI=1S/C12H15NO2/c1-4-6-8-11(12(15)13-3)10(9-14)7-5-2/h4-9H,2H2,1,3H3,(H,13,15)/b6-4-,10-7-,11-8+
InChIKeyOUPQQSFYUDIAEH-VUEWJUNTSA-N
XLogP1.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide (CID 143603280) is (2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide is C=C/C=C(C=O)\C(=C/C=C\C)C(=O)NC.
What is the InChIKey of (2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide?
The InChIKey is OUPQQSFYUDIAEH-VUEWJUNTSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-6-8-11(12(15)13-3)10(9-14)7-5-2/h4-9H,2H2,1,3H3,(H,13,15)/b6-4-,10-7-,11-8+.
What are the key properties of (2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide?
(2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide has a molecular weight of 205.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide is sourced from PubChem (CID 143603280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).