(2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide

C12H19NO2 — CID 143959128

IUPAC(2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide
SMILESC/C=C\C=C(/C)C(=O)NCC(C)CC=O
InChIInChI=1S/C12H19NO2/c1-4-5-6-11(3)12(15)13-9-10(2)7-8-14/h4-6,8,10H,7,9H2,1-3H3,(H,13,15)/b5-4-,11-6+
InChIKeyBIYIKSMFROAAFV-UMEJXRAUSA-N
MW209.29 g/mol
LogP1.85
Rot. Bonds6

About (2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide

(2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide (PubChem CID 143959128) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide
PubChem CID143959128
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide
SMILESC/C=C\C=C(/C)C(=O)NCC(C)CC=O
InChIInChI=1S/C12H19NO2/c1-4-5-6-11(3)12(15)13-9-10(2)7-8-14/h4-6,8,10H,7,9H2,1-3H3,(H,13,15)/b5-4-,11-6+
InChIKeyBIYIKSMFROAAFV-UMEJXRAUSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.85
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)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide (CID 143959128) is (2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide is C/C=C\C=C(/C)C(=O)NCC(C)CC=O.
What is the InChIKey of (2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide?
The InChIKey is BIYIKSMFROAAFV-UMEJXRAUSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-5-6-11(3)12(15)13-9-10(2)7-8-14/h4-6,8,10H,7,9H2,1-3H3,(H,13,15)/b5-4-,11-6+.
What are the key properties of (2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide?
(2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide has a molecular weight of 209.29 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-methyl-N-(2-methyl-4-oxobutyl)hexa-2,4-dienamide is sourced from PubChem (CID 143959128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).