N'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide

C10H15N3O3 — CID 6033719

IUPACN'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide
SMILESCC1(C)CC(=O)C/C(=N/NC(=O)C(N)=O)C1
InChIInChI=1S/C10H15N3O3/c1-10(2)4-6(3-7(14)5-10)12-13-9(16)8(11)15/h3-5H2,1-2H3,(H2,11,15)(H,13,16)/b12-6-
InChIKeyHPSWHKYQPSCFBI-SDQBBNPISA-N
MW225.25 g/mol
LogP-0.28
Rot. Bonds1

About N'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide

N'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide (PubChem CID 6033719) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide.

Molecular Properties

Compound NameN'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide
PubChem CID6033719
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide
SMILESCC1(C)CC(=O)C/C(=N/NC(=O)C(N)=O)C1
InChIInChI=1S/C10H15N3O3/c1-10(2)4-6(3-7(14)5-10)12-13-9(16)8(11)15/h3-5H2,1-2H3,(H2,11,15)(H,13,16)/b12-6-
InChIKeyHPSWHKYQPSCFBI-SDQBBNPISA-N
XLogP-0.28
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.28
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)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide?
The IUPAC name of N'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide (CID 6033719) is N'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide.
What is the SMILES notation for N'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide?
The canonical SMILES for N'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide is CC1(C)CC(=O)C/C(=N/NC(=O)C(N)=O)C1.
What is the InChIKey of N'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide?
The InChIKey is HPSWHKYQPSCFBI-SDQBBNPISA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2)4-6(3-7(14)5-10)12-13-9(16)8(11)15/h3-5H2,1-2H3,(H2,11,15)(H,13,16)/b12-6-.
What are the key properties of N'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide?
N'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide has a molecular weight of 225.25 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide is sourced from PubChem (CID 6033719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).