(5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide

C11H17NO2 — CID 142386280

IUPAC(5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide
SMILESC=C/C(=C\C(=C)CCC(=O)NC)OC
InChIInChI=1S/C11H17NO2/c1-5-10(14-4)8-9(2)6-7-11(13)12-3/h5,8H,1-2,6-7H2,3-4H3,(H,12,13)/b10-8+
InChIKeyXYPDCNWAZJUBPL-CSKARUKUSA-N
MW195.26 g/mol
LogP1.79
Rot. Bonds6

About (5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide

(5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide (PubChem CID 142386280) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide.

Molecular Properties

Compound Name(5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide
PubChem CID142386280
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide
SMILESC=C/C(=C\C(=C)CCC(=O)NC)OC
InChIInChI=1S/C11H17NO2/c1-5-10(14-4)8-9(2)6-7-11(13)12-3/h5,8H,1-2,6-7H2,3-4H3,(H,12,13)/b10-8+
InChIKeyXYPDCNWAZJUBPL-CSKARUKUSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide?
The IUPAC name of (5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide (CID 142386280) is (5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide.
What is the SMILES notation for (5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide?
The canonical SMILES for (5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide is C=C/C(=C\C(=C)CCC(=O)NC)OC.
What is the InChIKey of (5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide?
The InChIKey is XYPDCNWAZJUBPL-CSKARUKUSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-10(14-4)8-9(2)6-7-11(13)12-3/h5,8H,1-2,6-7H2,3-4H3,(H,12,13)/b10-8+.
What are the key properties of (5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide?
(5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide has a molecular weight of 195.26 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-methoxy-N-methyl-4-methylideneocta-5,7-dienamide is sourced from PubChem (CID 142386280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).