(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide

C11H17NO2 — CID 25195169

IUPAC(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
SMILESCC(=O)/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C11H17NO2/c1-9(2)8-12-11(14)7-5-4-6-10(3)13/h4-7,9H,8H2,1-3H3,(H,12,14)/b6-4+,7-5+
InChIKeyWOZPVGYGEASHHK-YDFGWWAZSA-N
MW195.26 g/mol
LogP1.46
Rot. Bonds5

About (2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide

(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide (PubChem CID 25195169) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
PubChem CID25195169
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
SMILESCC(=O)/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C11H17NO2/c1-9(2)8-12-11(14)7-5-4-6-10(3)13/h4-7,9H,8H2,1-3H3,(H,12,14)/b6-4+,7-5+
InChIKeyWOZPVGYGEASHHK-YDFGWWAZSA-N
XLogP1.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052
(2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide
CID 15416267
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CID 175711571
(2E,4E,8E)-N-(2-methylpropyl)undeca-2,4,8,10-tetraenamide
CID 132536757
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
CID 5281870
methyl (E)-4-(2-methylpropylamino)-4-oxobut-2-enoate
CID 44603263
(E)-3-iodo-N-(2-methylpropyl)but-2-enamide
CID 118384417

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide (CID 25195169) is (2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide is CC(=O)/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide?
The InChIKey is WOZPVGYGEASHHK-YDFGWWAZSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(2)8-12-11(14)7-5-4-6-10(3)13/h4-7,9H,8H2,1-3H3,(H,12,14)/b6-4+,7-5+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide has a molecular weight of 195.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide is sourced from PubChem (CID 25195169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).