(2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide

C11H18INO2 — CID 89219272

IUPAC(2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide
SMILESCON(C)C(=O)/C=C/CC/C=C/CCI
InChIInChI=1S/C11H18INO2/c1-13(15-2)11(14)9-7-5-3-4-6-8-10-12/h4,6-7,9H,3,5,8,10H2,1-2H3/b6-4+,9-7+
InChIKeyLWICDLDWJUHNPQ-ADIUVMHLSA-N
MW323.17 g/mol
LogP2.72
Rot. Bonds7

About (2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide

(2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide (PubChem CID 89219272) has the molecular formula C11H18INO2 and a molecular weight of 323.17 g/mol. Its IUPAC name is (2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide.

Molecular Properties

Compound Name(2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide
PubChem CID89219272
Molecular FormulaC11H18INO2
Molecular Weight323.17 g/mol
Exact Mass323.04
IUPAC Name(2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide
SMILESCON(C)C(=O)/C=C/CC/C=C/CCI
InChIInChI=1S/C11H18INO2/c1-13(15-2)11(14)9-7-5-3-4-6-8-10-12/h4,6-7,9H,3,5,8,10H2,1-2H3/b6-4+,9-7+
InChIKeyLWICDLDWJUHNPQ-ADIUVMHLSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide with MolForge

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Related Compounds

(2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide
CID 88883922
methyl (Z)-5-iodopent-2-enoate
CID 101257877
(E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide
CID 58883196
ethyl (E)-5-iodopent-2-enoate
CID 88671590
cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide
CID 176970861
(2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide
CID 50901540
(E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide
CID 11030053
(E)-N,N,6,6-tetramethylhept-2-enamide
CID 176757797
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
methyl (E)-6-oxohex-2-enoate
CID 11804854
5-fluoro-N,N-dimethylpent-2-enamide
CID 141430531
(2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide
CID 141437196

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide?
The IUPAC name of (2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide (CID 89219272) is (2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide.
What is the SMILES notation for (2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide?
The canonical SMILES for (2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide is CON(C)C(=O)/C=C/CC/C=C/CCI.
What is the InChIKey of (2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide?
The InChIKey is LWICDLDWJUHNPQ-ADIUVMHLSA-N. The full InChI is InChI=1S/C11H18INO2/c1-13(15-2)11(14)9-7-5-3-4-6-8-10-12/h4,6-7,9H,3,5,8,10H2,1-2H3/b6-4+,9-7+.
What are the key properties of (2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide?
(2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide has a molecular weight of 323.17 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide is sourced from PubChem (CID 89219272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).