N'-ethyl-3-oxobutanimidamide

C6H12N2O — CID 130383169

IUPACN'-ethyl-3-oxobutanimidamide
SMILESCC/N=C(/N)CC(C)=O
InChIInChI=1S/C6H12N2O/c1-3-8-6(7)4-5(2)9/h3-4H2,1-2H3,(H2,7,8)
InChIKeyZEGXFMHXYWZCNW-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.34
Rot. Bonds3

About N'-ethyl-3-oxobutanimidamide

N'-ethyl-3-oxobutanimidamide (PubChem CID 130383169) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N'-ethyl-3-oxobutanimidamide.

Molecular Properties

Compound NameN'-ethyl-3-oxobutanimidamide
PubChem CID130383169
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN'-ethyl-3-oxobutanimidamide
SMILESCC/N=C(/N)CC(C)=O
InChIInChI=1S/C6H12N2O/c1-3-8-6(7)4-5(2)9/h3-4H2,1-2H3,(H2,7,8)
InChIKeyZEGXFMHXYWZCNW-UHFFFAOYSA-N
XLogP0.34
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-3-oxobutanimidamide?
The IUPAC name of N'-ethyl-3-oxobutanimidamide (CID 130383169) is N'-ethyl-3-oxobutanimidamide.
What is the SMILES notation for N'-ethyl-3-oxobutanimidamide?
The canonical SMILES for N'-ethyl-3-oxobutanimidamide is CC/N=C(/N)CC(C)=O.
What is the InChIKey of N'-ethyl-3-oxobutanimidamide?
The InChIKey is ZEGXFMHXYWZCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-8-6(7)4-5(2)9/h3-4H2,1-2H3,(H2,7,8).
What are the key properties of N'-ethyl-3-oxobutanimidamide?
N'-ethyl-3-oxobutanimidamide has a molecular weight of 128.17 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3-oxobutanimidamide is sourced from PubChem (CID 130383169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).