(3Z)-N-methylhexa-3,5-dienamide

C7H11NO — CID 90245827

IUPAC(3Z)-N-methylhexa-3,5-dienamide
SMILESC=C/C=C\CC(=O)NC
InChIInChI=1S/C7H11NO/c1-3-4-5-6-7(9)8-2/h3-5H,1,6H2,2H3,(H,8,9)/b5-4-
InChIKeyYOVPOCLZLPJOPC-PLNGDYQASA-N
MW125.17 g/mol
LogP0.86
Rot. Bonds3

About (3Z)-N-methylhexa-3,5-dienamide

(3Z)-N-methylhexa-3,5-dienamide (PubChem CID 90245827) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (3Z)-N-methylhexa-3,5-dienamide.

Molecular Properties

Compound Name(3Z)-N-methylhexa-3,5-dienamide
PubChem CID90245827
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(3Z)-N-methylhexa-3,5-dienamide
SMILESC=C/C=C\CC(=O)NC
InChIInChI=1S/C7H11NO/c1-3-4-5-6-7(9)8-2/h3-5H,1,6H2,2H3,(H,8,9)/b5-4-
InChIKeyYOVPOCLZLPJOPC-PLNGDYQASA-N
XLogP0.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methylhexa-3,5-dienamide?
The IUPAC name of (3Z)-N-methylhexa-3,5-dienamide (CID 90245827) is (3Z)-N-methylhexa-3,5-dienamide.
What is the SMILES notation for (3Z)-N-methylhexa-3,5-dienamide?
The canonical SMILES for (3Z)-N-methylhexa-3,5-dienamide is C=C/C=C\CC(=O)NC.
What is the InChIKey of (3Z)-N-methylhexa-3,5-dienamide?
The InChIKey is YOVPOCLZLPJOPC-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11NO/c1-3-4-5-6-7(9)8-2/h3-5H,1,6H2,2H3,(H,8,9)/b5-4-.
What are the key properties of (3Z)-N-methylhexa-3,5-dienamide?
(3Z)-N-methylhexa-3,5-dienamide has a molecular weight of 125.17 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methylhexa-3,5-dienamide is sourced from PubChem (CID 90245827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).