(2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide

C8H12N2O2 — CID 166956386

IUPAC(2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide
SMILESC/C=C\C=C(/C)NC(=O)/C=N\O
InChIInChI=1S/C8H12N2O2/c1-3-4-5-7(2)10-8(11)6-9-12/h3-6,12H,1-2H3,(H,10,11)/b4-3-,7-5+,9-6-
InChIKeyPQUQIEMJYLVVGD-MWGXVERXSA-N
MW168.20 g/mol
LogP1.04
Rot. Bonds3

About (2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide

(2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide (PubChem CID 166956386) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide
PubChem CID166956386
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide
SMILESC/C=C\C=C(/C)NC(=O)/C=N\O
InChIInChI=1S/C8H12N2O2/c1-3-4-5-7(2)10-8(11)6-9-12/h3-6,12H,1-2H3,(H,10,11)/b4-3-,7-5+,9-6-
InChIKeyPQUQIEMJYLVVGD-MWGXVERXSA-N
XLogP1.04
TPSA61.69 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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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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Related Compounds

(2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide
CID 177149097
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043
(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
(Z)-N-[(Z)-but-2-en-2-yl]but-2-enamide
CID 130459282
2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide
CID 123450915
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
CID 130312596
ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide
CID 143733482
(Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-(1-nitroethenoxy)but-2-enamide
CID 129033040
hexa-2,4-diene-2-sulfonic acid
CID 91299150
(2Z,4Z)-2-(2-oxopropylideneamino)hexa-2,4-dienal
CID 143956499
2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium
CID 28816307
(3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine
CID 143745515

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide?
The IUPAC name of (2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide (CID 166956386) is (2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide.
What is the SMILES notation for (2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide?
The canonical SMILES for (2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide is C/C=C\C=C(/C)NC(=O)/C=N\O.
What is the InChIKey of (2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide?
The InChIKey is PQUQIEMJYLVVGD-MWGXVERXSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-4-5-7(2)10-8(11)6-9-12/h3-6,12H,1-2H3,(H,10,11)/b4-3-,7-5+,9-6-.
What are the key properties of (2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide?
(2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide has a molecular weight of 168.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide is sourced from PubChem (CID 166956386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).