(2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide

C8H12N2O2 — CID 118615821

IUPAC(2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide
SMILESC/C=C(C)\C=C(/C=N/O)C(N)=O
InChIInChI=1S/C8H12N2O2/c1-3-6(2)4-7(5-10-12)8(9)11/h3-5,12H,1-2H3,(H2,9,11)/b6-3-,7-4+,10-5+
InChIKeyHOICVESWJPVEIS-XPPLGSGTSA-N
MW168.20 g/mol
LogP0.82
Rot. Bonds3

About (2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide

(2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide (PubChem CID 118615821) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide
PubChem CID118615821
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide
SMILESC/C=C(C)\C=C(/C=N/O)C(N)=O
InChIInChI=1S/C8H12N2O2/c1-3-6(2)4-7(5-10-12)8(9)11/h3-5,12H,1-2H3,(H2,9,11)/b6-3-,7-4+,10-5+
InChIKeyHOICVESWJPVEIS-XPPLGSGTSA-N
XLogP0.82
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide (CID 118615821) is (2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide is C/C=C(C)\C=C(/C=N/O)C(N)=O.
What is the InChIKey of (2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide?
The InChIKey is HOICVESWJPVEIS-XPPLGSGTSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-6(2)4-7(5-10-12)8(9)11/h3-5,12H,1-2H3,(H2,9,11)/b6-3-,7-4+,10-5+.
What are the key properties of (2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide?
(2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide has a molecular weight of 168.20 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide is sourced from PubChem (CID 118615821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).