(2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide

C17H25NO — CID 166874467

IUPAC(2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide
SMILESC=C/C(=C\C=C(/C=C)C(N)=O)C1CCCCCCC1
InChIInChI=1S/C17H25NO/c1-3-14(12-13-15(4-2)17(18)19)16-10-8-6-5-7-9-11-16/h3-4,12-13,16H,1-2,5-11H2,(H2,18,19)/b14-12+,15-13+
InChIKeyCKBYKDXFTLNLNM-QUMQEAAQSA-N
MW259.39 g/mol
LogP4.06
Rot. Bonds5

About (2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide

(2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide (PubChem CID 166874467) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide
PubChem CID166874467
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide
SMILESC=C/C(=C\C=C(/C=C)C(N)=O)C1CCCCCCC1
InChIInChI=1S/C17H25NO/c1-3-14(12-13-15(4-2)17(18)19)16-10-8-6-5-7-9-11-16/h3-4,12-13,16H,1-2,5-11H2,(H2,18,19)/b14-12+,15-13+
InChIKeyCKBYKDXFTLNLNM-QUMQEAAQSA-N
XLogP4.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.06
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

(2E,4E)-5-cyclohexyl-2-ethenylhepta-2,4-dienamide
CID 130460991
[(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene
CID 144579674
[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane
CID 142446147
2-cyclohexylbut-2-enediamide
CID 151583610
prop-2-enyl cyclododecanecarboxylate
CID 139624721
4-prop-2-enoylcycloundecane-1-carboxylic acid
CID 167291124
N'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide
CID 138483418
cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate
CID 59257514
dicyclohexylmethanone;formaldehyde
CID 175300134
3-cyclohexyl-2-methylbut-2-enamide
CID 70347736
(2E,4E)-2-ethenyl-5-methylnona-2,4-dienamide
CID 89153831
cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide
CID 67573773

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide?
The IUPAC name of (2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide (CID 166874467) is (2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide.
What is the SMILES notation for (2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide?
The canonical SMILES for (2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide is C=C/C(=C\C=C(/C=C)C(N)=O)C1CCCCCCC1.
What is the InChIKey of (2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide?
The InChIKey is CKBYKDXFTLNLNM-QUMQEAAQSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-14(12-13-15(4-2)17(18)19)16-10-8-6-5-7-9-11-16/h3-4,12-13,16H,1-2,5-11H2,(H2,18,19)/b14-12+,15-13+.
What are the key properties of (2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide?
(2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide has a molecular weight of 259.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide is sourced from PubChem (CID 166874467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).