(3Z)-2-methyliminohexa-3,5-dienamide

C7H10N2O — CID 166785931

IUPAC(3Z)-2-methyliminohexa-3,5-dienamide
SMILESC=C/C=C\C(=N/C)C(N)=O
InChIInChI=1S/C7H10N2O/c1-3-4-5-6(9-2)7(8)10/h3-5H,1H2,2H3,(H2,8,10)/b5-4-,9-6+
InChIKeyWWBABVFSGLNQDO-KMOPYBJPSA-N
MW138.17 g/mol
LogP0.28
Rot. Bonds3

About (3Z)-2-methyliminohexa-3,5-dienamide

(3Z)-2-methyliminohexa-3,5-dienamide (PubChem CID 166785931) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (3Z)-2-methyliminohexa-3,5-dienamide.

Molecular Properties

Compound Name(3Z)-2-methyliminohexa-3,5-dienamide
PubChem CID166785931
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(3Z)-2-methyliminohexa-3,5-dienamide
SMILESC=C/C=C\C(=N/C)C(N)=O
InChIInChI=1S/C7H10N2O/c1-3-4-5-6(9-2)7(8)10/h3-5H,1H2,2H3,(H2,8,10)/b5-4-,9-6+
InChIKeyWWBABVFSGLNQDO-KMOPYBJPSA-N
XLogP0.28
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.28
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-methyliminohexa-3,5-dienamide?
The IUPAC name of (3Z)-2-methyliminohexa-3,5-dienamide (CID 166785931) is (3Z)-2-methyliminohexa-3,5-dienamide.
What is the SMILES notation for (3Z)-2-methyliminohexa-3,5-dienamide?
The canonical SMILES for (3Z)-2-methyliminohexa-3,5-dienamide is C=C/C=C\C(=N/C)C(N)=O.
What is the InChIKey of (3Z)-2-methyliminohexa-3,5-dienamide?
The InChIKey is WWBABVFSGLNQDO-KMOPYBJPSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-4-5-6(9-2)7(8)10/h3-5H,1H2,2H3,(H2,8,10)/b5-4-,9-6+.
What are the key properties of (3Z)-2-methyliminohexa-3,5-dienamide?
(3Z)-2-methyliminohexa-3,5-dienamide has a molecular weight of 138.17 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methyliminohexa-3,5-dienamide is sourced from PubChem (CID 166785931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).