(4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide

C11H18N2O — CID 138717205

IUPAC(4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide
SMILESC=C/C(=C\C=C/C)C(C)C(N)C(N)=O
InChIInChI=1S/C11H18N2O/c1-4-6-7-9(5-2)8(3)10(12)11(13)14/h4-8,10H,2,12H2,1,3H3,(H2,13,14)/b6-4-,9-7+
InChIKeyKMTDLBVLFTYVDE-UNQQQNFISA-N
MW194.28 g/mol
LogP1.12
Rot. Bonds5

About (4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide

(4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide (PubChem CID 138717205) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide.

Molecular Properties

Compound Name(4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide
PubChem CID138717205
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide
SMILESC=C/C(=C\C=C/C)C(C)C(N)C(N)=O
InChIInChI=1S/C11H18N2O/c1-4-6-7-9(5-2)8(3)10(12)11(13)14/h4-8,10H,2,12H2,1,3H3,(H2,13,14)/b6-4-,9-7+
InChIKeyKMTDLBVLFTYVDE-UNQQQNFISA-N
XLogP1.12
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide?
The IUPAC name of (4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide (CID 138717205) is (4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide.
What is the SMILES notation for (4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide?
The canonical SMILES for (4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide is C=C/C(=C\C=C/C)C(C)C(N)C(N)=O.
What is the InChIKey of (4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide?
The InChIKey is KMTDLBVLFTYVDE-UNQQQNFISA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-6-7-9(5-2)8(3)10(12)11(13)14/h4-8,10H,2,12H2,1,3H3,(H2,13,14)/b6-4-,9-7+.
What are the key properties of (4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide?
(4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide has a molecular weight of 194.28 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-2-amino-4-ethenyl-3-methylocta-4,6-dienamide is sourced from PubChem (CID 138717205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).