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

C11H19NO3 — CID 88575328

IUPAC(2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide
SMILESCON(C)C(=O)/C=C/CC/C=C/CCO
InChIInChI=1S/C11H19NO3/c1-12(15-2)11(14)9-7-5-3-4-6-8-10-13/h4,6-7,9,13H,3,5,8,10H2,1-2H3/b6-4+,9-7+
InChIKeySTKLQKCMCPZMHW-ADIUVMHLSA-N
MW213.28 g/mol
LogP1.28
Rot. Bonds7

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

(2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide (PubChem CID 88575328) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide.

Molecular Properties

Compound Name(2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide
PubChem CID88575328
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide
SMILESCON(C)C(=O)/C=C/CC/C=C/CCO
InChIInChI=1S/C11H19NO3/c1-12(15-2)11(14)9-7-5-3-4-6-8-10-13/h4,6-7,9,13H,3,5,8,10H2,1-2H3/b6-4+,9-7+
InChIKeySTKLQKCMCPZMHW-ADIUVMHLSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide?
The IUPAC name of (2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide (CID 88575328) is (2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide.
What is the SMILES notation for (2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide?
The canonical SMILES for (2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide is CON(C)C(=O)/C=C/CC/C=C/CCO.
What is the InChIKey of (2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide?
The InChIKey is STKLQKCMCPZMHW-ADIUVMHLSA-N. The full InChI is InChI=1S/C11H19NO3/c1-12(15-2)11(14)9-7-5-3-4-6-8-10-13/h4,6-7,9,13H,3,5,8,10H2,1-2H3/b6-4+,9-7+.
What are the key properties of (2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide?
(2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide has a molecular weight of 213.28 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide is sourced from PubChem (CID 88575328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).