(2Z)-2-ethenylhexa-2,5-dienamide

C8H11NO — CID 156540432

IUPAC(2Z)-2-ethenylhexa-2,5-dienamide
SMILESC=CC/C=C(/C=C)C(N)=O
InChIInChI=1S/C8H11NO/c1-3-5-6-7(4-2)8(9)10/h3-4,6H,1-2,5H2,(H2,9,10)/b7-6-
InChIKeyMCEVZUIALNSZRG-SREVYHEPSA-N
MW137.18 g/mol
LogP1.16
Rot. Bonds4

About (2Z)-2-ethenylhexa-2,5-dienamide

(2Z)-2-ethenylhexa-2,5-dienamide (PubChem CID 156540432) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (2Z)-2-ethenylhexa-2,5-dienamide.

Molecular Properties

Compound Name(2Z)-2-ethenylhexa-2,5-dienamide
PubChem CID156540432
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(2Z)-2-ethenylhexa-2,5-dienamide
SMILESC=CC/C=C(/C=C)C(N)=O
InChIInChI=1S/C8H11NO/c1-3-5-6-7(4-2)8(9)10/h3-4,6H,1-2,5H2,(H2,9,10)/b7-6-
InChIKeyMCEVZUIALNSZRG-SREVYHEPSA-N
XLogP1.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(hydroxymethyl)hexa-2,5-dienamide
CID 90230508
2-buta-2,3-dienylhexa-2,5-dienamide
CID 175339365
(2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide
CID 57408506
2-(diethylaminomethylidene)but-3-enamide
CID 54506794
(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienamide
CID 145265634
(Z)-2-ethenyl-N'-hydroxybut-2-enediamide
CID 123923721
3-methylhepta-1,3,6-triene
CID 71444747
(2E,4E)-2-ethenyl-5-methylnona-2,4-dienamide
CID 89153831
prop-2-enamide;ruthenium
CID 90254548
prop-2-enamide iodide
CID 19796963
CID 118976628
CID 118976628
benzene;prop-2-enamide;hydrobromide
CID 174943070

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethenylhexa-2,5-dienamide?
The IUPAC name of (2Z)-2-ethenylhexa-2,5-dienamide (CID 156540432) is (2Z)-2-ethenylhexa-2,5-dienamide.
What is the SMILES notation for (2Z)-2-ethenylhexa-2,5-dienamide?
The canonical SMILES for (2Z)-2-ethenylhexa-2,5-dienamide is C=CC/C=C(/C=C)C(N)=O.
What is the InChIKey of (2Z)-2-ethenylhexa-2,5-dienamide?
The InChIKey is MCEVZUIALNSZRG-SREVYHEPSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-5-6-7(4-2)8(9)10/h3-4,6H,1-2,5H2,(H2,9,10)/b7-6-.
What are the key properties of (2Z)-2-ethenylhexa-2,5-dienamide?
(2Z)-2-ethenylhexa-2,5-dienamide has a molecular weight of 137.18 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethenylhexa-2,5-dienamide is sourced from PubChem (CID 156540432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).