(2E,4E)-6,6-dimethylhepta-2,4-dienamide

C9H15NO — CID 131244576

IUPAC(2E,4E)-6,6-dimethylhepta-2,4-dienamide
SMILESCC(C)(C)/C=C/C=C/C(N)=O
InChIInChI=1S/C9H15NO/c1-9(2,3)7-5-4-6-8(10)11/h4-7H,1-3H3,(H2,10,11)/b6-4+,7-5+
InChIKeyZCCJPABXUQOZES-YDFGWWAZSA-N
MW153.22 g/mol
LogP1.63
Rot. Bonds2

About (2E,4E)-6,6-dimethylhepta-2,4-dienamide

(2E,4E)-6,6-dimethylhepta-2,4-dienamide (PubChem CID 131244576) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2E,4E)-6,6-dimethylhepta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-6,6-dimethylhepta-2,4-dienamide
PubChem CID131244576
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2E,4E)-6,6-dimethylhepta-2,4-dienamide
SMILESCC(C)(C)/C=C/C=C/C(N)=O
InChIInChI=1S/C9H15NO/c1-9(2,3)7-5-4-6-8(10)11/h4-7H,1-3H3,(H2,10,11)/b6-4+,7-5+
InChIKeyZCCJPABXUQOZES-YDFGWWAZSA-N
XLogP1.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

e,e-2,4-Octadienamide
CID 20157327
(2E,4E)-7-methylocta-2,4-dienoic acid amide
CID 16099485
cis-2-Pentenoic acid amide
CID 6432143
4-Ethylhexa-2,4-dienamide
CID 146360
FR 900411
CID 6439896
trans-2,4-Decadi-enamide
CID 19812070
Deca-2,4-dienamide
CID 53786362
Octa-2,4-dienamide
CID 73664437
(2E,4Z)-Deca-2,4-dienamide
CID 87184515
Hepta-2,4-dienamide
CID 11693907
(2E,4E,8E)-5,9,13-trimethyltetradeca-2,4,8,12-tetraenamide
CID 46230682
7-Methylocta-2,4-dienamide
CID 71426669

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6,6-dimethylhepta-2,4-dienamide?
The IUPAC name of (2E,4E)-6,6-dimethylhepta-2,4-dienamide (CID 131244576) is (2E,4E)-6,6-dimethylhepta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-6,6-dimethylhepta-2,4-dienamide?
The canonical SMILES for (2E,4E)-6,6-dimethylhepta-2,4-dienamide is CC(C)(C)/C=C/C=C/C(N)=O.
What is the InChIKey of (2E,4E)-6,6-dimethylhepta-2,4-dienamide?
The InChIKey is ZCCJPABXUQOZES-YDFGWWAZSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)7-5-4-6-8(10)11/h4-7H,1-3H3,(H2,10,11)/b6-4+,7-5+.
What are the key properties of (2E,4E)-6,6-dimethylhepta-2,4-dienamide?
(2E,4E)-6,6-dimethylhepta-2,4-dienamide has a molecular weight of 153.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6,6-dimethylhepta-2,4-dienamide is sourced from PubChem (CID 131244576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).