N'-[(E)-5-oxohexan-2-ylideneamino]oxamide

C8H13N3O3 — CID 89370973

IUPACN'-[(E)-5-oxohexan-2-ylideneamino]oxamide
SMILESCC(=O)CC/C(C)=N/NC(=O)C(N)=O
InChIInChI=1S/C8H13N3O3/c1-5(3-4-6(2)12)10-11-8(14)7(9)13/h3-4H2,1-2H3,(H2,9,13)(H,11,14)/b10-5+
InChIKeyWZZNVOPEWNYUML-BJMVGYQFSA-N
MW199.21 g/mol
LogP-0.67
Rot. Bonds4

About N'-[(E)-5-oxohexan-2-ylideneamino]oxamide

N'-[(E)-5-oxohexan-2-ylideneamino]oxamide (PubChem CID 89370973) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is N'-[(E)-5-oxohexan-2-ylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-5-oxohexan-2-ylideneamino]oxamide
PubChem CID89370973
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC NameN'-[(E)-5-oxohexan-2-ylideneamino]oxamide
SMILESCC(=O)CC/C(C)=N/NC(=O)C(N)=O
InChIInChI=1S/C8H13N3O3/c1-5(3-4-6(2)12)10-11-8(14)7(9)13/h3-4H2,1-2H3,(H2,9,13)(H,11,14)/b10-5+
InChIKeyWZZNVOPEWNYUML-BJMVGYQFSA-N
XLogP-0.67
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-5-oxohexan-2-ylideneamino]oxamide?
The IUPAC name of N'-[(E)-5-oxohexan-2-ylideneamino]oxamide (CID 89370973) is N'-[(E)-5-oxohexan-2-ylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-5-oxohexan-2-ylideneamino]oxamide?
The canonical SMILES for N'-[(E)-5-oxohexan-2-ylideneamino]oxamide is CC(=O)CC/C(C)=N/NC(=O)C(N)=O.
What is the InChIKey of N'-[(E)-5-oxohexan-2-ylideneamino]oxamide?
The InChIKey is WZZNVOPEWNYUML-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(3-4-6(2)12)10-11-8(14)7(9)13/h3-4H2,1-2H3,(H2,9,13)(H,11,14)/b10-5+.
What are the key properties of N'-[(E)-5-oxohexan-2-ylideneamino]oxamide?
N'-[(E)-5-oxohexan-2-ylideneamino]oxamide has a molecular weight of 199.21 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-5-oxohexan-2-ylideneamino]oxamide is sourced from PubChem (CID 89370973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).