N'-(2-oxoethyl)methanimidamide

C3H6N2O — CID 54256021

IUPACN'-(2-oxoethyl)methanimidamide
SMILESN/C=N/CC=O
InChIInChI=1S/C3H6N2O/c4-3-5-1-2-6/h2-3H,1H2,(H2,4,5)
InChIKeyWLHBIWWJKPXTOC-UHFFFAOYSA-N
MW86.09 g/mol
LogP-0.83
Rot. Bonds2

About N'-(2-oxoethyl)methanimidamide

N'-(2-oxoethyl)methanimidamide (PubChem CID 54256021) has the molecular formula C3H6N2O and a molecular weight of 86.09 g/mol. Its IUPAC name is N'-(2-oxoethyl)methanimidamide.

Molecular Properties

Compound NameN'-(2-oxoethyl)methanimidamide
PubChem CID54256021
Molecular FormulaC3H6N2O
Molecular Weight86.09 g/mol
Exact Mass86.05
IUPAC NameN'-(2-oxoethyl)methanimidamide
SMILESN/C=N/CC=O
InChIInChI=1S/C3H6N2O/c4-3-5-1-2-6/h2-3H,1H2,(H2,4,5)
InChIKeyWLHBIWWJKPXTOC-UHFFFAOYSA-N
XLogP-0.83
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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'-(2-oxoethyl)methanimidamide?
The IUPAC name of N'-(2-oxoethyl)methanimidamide (CID 54256021) is N'-(2-oxoethyl)methanimidamide.
What is the SMILES notation for N'-(2-oxoethyl)methanimidamide?
The canonical SMILES for N'-(2-oxoethyl)methanimidamide is N/C=N/CC=O.
What is the InChIKey of N'-(2-oxoethyl)methanimidamide?
The InChIKey is WLHBIWWJKPXTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O/c4-3-5-1-2-6/h2-3H,1H2,(H2,4,5).
What are the key properties of N'-(2-oxoethyl)methanimidamide?
N'-(2-oxoethyl)methanimidamide has a molecular weight of 86.09 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-oxoethyl)methanimidamide is sourced from PubChem (CID 54256021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).