(4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide

C11H17NO — CID 130243073

IUPAC(4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide
SMILESC=C/C(=C\C=C/C)CCC(=O)NC
InChIInChI=1S/C11H17NO/c1-4-6-7-10(5-2)8-9-11(13)12-3/h4-7H,2,8-9H2,1,3H3,(H,12,13)/b6-4-,10-7+
InChIKeyPSQWVUBXBKYQMS-BSAFSDHNSA-N
MW179.26 g/mol
LogP2.20
Rot. Bonds5

About (4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide

(4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide (PubChem CID 130243073) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide.

Molecular Properties

Compound Name(4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide
PubChem CID130243073
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide
SMILESC=C/C(=C\C=C/C)CCC(=O)NC
InChIInChI=1S/C11H17NO/c1-4-6-7-10(5-2)8-9-11(13)12-3/h4-7H,2,8-9H2,1,3H3,(H,12,13)/b6-4-,10-7+
InChIKeyPSQWVUBXBKYQMS-BSAFSDHNSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.20
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 (4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide?
The IUPAC name of (4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide (CID 130243073) is (4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide.
What is the SMILES notation for (4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide?
The canonical SMILES for (4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide is C=C/C(=C\C=C/C)CCC(=O)NC.
What is the InChIKey of (4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide?
The InChIKey is PSQWVUBXBKYQMS-BSAFSDHNSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-6-7-10(5-2)8-9-11(13)12-3/h4-7H,2,8-9H2,1,3H3,(H,12,13)/b6-4-,10-7+.
What are the key properties of (4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide?
(4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide has a molecular weight of 179.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide is sourced from PubChem (CID 130243073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).