(3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide

C10H14N2O — CID 170227623

IUPAC(3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide
SMILESC=C/N=C(\C=C(\C)C=C)C(=O)NC
InChIInChI=1S/C10H14N2O/c1-5-8(3)7-9(12-6-2)10(13)11-4/h5-7H,1-2H2,3-4H3,(H,11,13)/b8-7-,12-9+
InChIKeyXPIJRZNUXSLAOL-HVTAIUIQSA-N
MW178.23 g/mol
LogP1.45
Rot. Bonds4

About (3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide

(3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide (PubChem CID 170227623) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide.

Molecular Properties

Compound Name(3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide
PubChem CID170227623
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide
SMILESC=C/N=C(\C=C(\C)C=C)C(=O)NC
InChIInChI=1S/C10H14N2O/c1-5-8(3)7-9(12-6-2)10(13)11-4/h5-7H,1-2H2,3-4H3,(H,11,13)/b8-7-,12-9+
InChIKeyXPIJRZNUXSLAOL-HVTAIUIQSA-N
XLogP1.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide?
The IUPAC name of (3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide (CID 170227623) is (3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide.
What is the SMILES notation for (3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide?
The canonical SMILES for (3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide is C=C/N=C(\C=C(\C)C=C)C(=O)NC.
What is the InChIKey of (3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide?
The InChIKey is XPIJRZNUXSLAOL-HVTAIUIQSA-N. The full InChI is InChI=1S/C10H14N2O/c1-5-8(3)7-9(12-6-2)10(13)11-4/h5-7H,1-2H2,3-4H3,(H,11,13)/b8-7-,12-9+.
What are the key properties of (3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide?
(3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide has a molecular weight of 178.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide is sourced from PubChem (CID 170227623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).