(3Z)-2-ethenylimino-4-methylhexa-3,5-dienamide

C9H12N2O — CID 139383153

IUPAC(3Z)-2-ethenylimino-4-methylhexa-3,5-dienamide
SMILESC=C/N=C(/C=C(/C)C=C)C(N)=O
InChIInChI=1S/C9H12N2O/c1-4-7(3)6-8(9(10)12)11-5-2/h4-6H,1-2H2,3H3,(H2,10,12)/b7-6-,11-8-
InChIKeyKHKIBHUJZHPKAO-NJMVCRMVSA-N
MW164.21 g/mol
LogP1.19
Rot. Bonds4

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

(3Z)-2-ethenylimino-4-methylhexa-3,5-dienamide (PubChem CID 139383153) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (3Z)-2-ethenylimino-4-methylhexa-3,5-dienamide.

Molecular Properties

Compound Name(3Z)-2-ethenylimino-4-methylhexa-3,5-dienamide
PubChem CID139383153
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(3Z)-2-ethenylimino-4-methylhexa-3,5-dienamide
SMILESC=C/N=C(/C=C(/C)C=C)C(N)=O
InChIInChI=1S/C9H12N2O/c1-4-7(3)6-8(9(10)12)11-5-2/h4-6H,1-2H2,3H3,(H2,10,12)/b7-6-,11-8-
InChIKeyKHKIBHUJZHPKAO-NJMVCRMVSA-N
XLogP1.19
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.19
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-4-methylhexa-3,5-dienamide?
The IUPAC name of (3Z)-2-ethenylimino-4-methylhexa-3,5-dienamide (CID 139383153) is (3Z)-2-ethenylimino-4-methylhexa-3,5-dienamide.
What is the SMILES notation for (3Z)-2-ethenylimino-4-methylhexa-3,5-dienamide?
The canonical SMILES for (3Z)-2-ethenylimino-4-methylhexa-3,5-dienamide is C=C/N=C(/C=C(/C)C=C)C(N)=O.
What is the InChIKey of (3Z)-2-ethenylimino-4-methylhexa-3,5-dienamide?
The InChIKey is KHKIBHUJZHPKAO-NJMVCRMVSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-7(3)6-8(9(10)12)11-5-2/h4-6H,1-2H2,3H3,(H2,10,12)/b7-6-,11-8-.
What are the key properties of (3Z)-2-ethenylimino-4-methylhexa-3,5-dienamide?
(3Z)-2-ethenylimino-4-methylhexa-3,5-dienamide has a molecular weight of 164.21 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethenylimino-4-methylhexa-3,5-dienamide is sourced from PubChem (CID 139383153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).