(2E)-6-cyano-2-ethylocta-2,5,7-trienamide

C11H14N2O — CID 142229752

IUPAC(2E)-6-cyano-2-ethylocta-2,5,7-trienamide
SMILESC=CC(C#N)=CC/C=C(\CC)C(N)=O
InChIInChI=1S/C11H14N2O/c1-3-9(8-12)6-5-7-10(4-2)11(13)14/h3,6-7H,1,4-5H2,2H3,(H2,13,14)/b9-6?,10-7+
InChIKeyLEFUNUHTXKHGJM-RCXDVQKISA-N
MW190.25 g/mol
LogP1.83
Rot. Bonds5

About (2E)-6-cyano-2-ethylocta-2,5,7-trienamide

(2E)-6-cyano-2-ethylocta-2,5,7-trienamide (PubChem CID 142229752) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (2E)-6-cyano-2-ethylocta-2,5,7-trienamide.

Molecular Properties

Compound Name(2E)-6-cyano-2-ethylocta-2,5,7-trienamide
PubChem CID142229752
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(2E)-6-cyano-2-ethylocta-2,5,7-trienamide
SMILESC=CC(C#N)=CC/C=C(\CC)C(N)=O
InChIInChI=1S/C11H14N2O/c1-3-9(8-12)6-5-7-10(4-2)11(13)14/h3,6-7H,1,4-5H2,2H3,(H2,13,14)/b9-6?,10-7+
InChIKeyLEFUNUHTXKHGJM-RCXDVQKISA-N
XLogP1.83
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 87982228
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N-(4-cyanohexa-3,5-dien-2-yl)butanamide
CID 123403650
(2E)-2-ethyl-4-fluoropenta-2,4-dienamide
CID 170178694
butyl prop-2-enoate;2-methylprop-2-enenitrile
CID 87899645
butyl prop-2-enoate;formonitrile;prop-2-enenitrile
CID 174714541
2-hexylnon-2-enamide;prop-2-enoic acid
CID 174868257
2-methylprop-2-enamide;propane-1-sulfonic acid;prop-2-enenitrile
CID 174849605
CID 172708986
CID 172708986
(2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine
CID 143876446

Frequently Asked Questions

What is the IUPAC name of (2E)-6-cyano-2-ethylocta-2,5,7-trienamide?
The IUPAC name of (2E)-6-cyano-2-ethylocta-2,5,7-trienamide (CID 142229752) is (2E)-6-cyano-2-ethylocta-2,5,7-trienamide.
What is the SMILES notation for (2E)-6-cyano-2-ethylocta-2,5,7-trienamide?
The canonical SMILES for (2E)-6-cyano-2-ethylocta-2,5,7-trienamide is C=CC(C#N)=CC/C=C(\CC)C(N)=O.
What is the InChIKey of (2E)-6-cyano-2-ethylocta-2,5,7-trienamide?
The InChIKey is LEFUNUHTXKHGJM-RCXDVQKISA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-9(8-12)6-5-7-10(4-2)11(13)14/h3,6-7H,1,4-5H2,2H3,(H2,13,14)/b9-6?,10-7+.
What are the key properties of (2E)-6-cyano-2-ethylocta-2,5,7-trienamide?
(2E)-6-cyano-2-ethylocta-2,5,7-trienamide has a molecular weight of 190.25 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-cyano-2-ethylocta-2,5,7-trienamide is sourced from PubChem (CID 142229752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).