N-oxoethanimidamide

C2H4N2O — CID 134954797

IUPACN-oxoethanimidamide
SMILES[H]/N=C(\C)N=O
InChIInChI=1S/C2H4N2O/c1-2(3)4-5/h3H,1H3/b3-2+
InChIKeyCEXSZAUGXXHEBX-NSCUHMNNSA-N
MW72.07 g/mol
LogP0.75
Rot. Bonds

About N-oxoethanimidamide

N-oxoethanimidamide (PubChem CID 134954797) has the molecular formula C2H4N2O and a molecular weight of 72.07 g/mol. Its IUPAC name is N-oxoethanimidamide.

Molecular Properties

Compound NameN-oxoethanimidamide
PubChem CID134954797
Molecular FormulaC2H4N2O
Molecular Weight72.07 g/mol
Exact Mass72.03
IUPAC NameN-oxoethanimidamide
SMILES[H]/N=C(\C)N=O
InChIInChI=1S/C2H4N2O/c1-2(3)4-5/h3H,1H3/b3-2+
InChIKeyCEXSZAUGXXHEBX-NSCUHMNNSA-N
XLogP0.75
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.07
LogP ≤ 50.75
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-oxoethanimidamide?
The IUPAC name of N-oxoethanimidamide (CID 134954797) is N-oxoethanimidamide.
What is the SMILES notation for N-oxoethanimidamide?
The canonical SMILES for N-oxoethanimidamide is [H]/N=C(\C)N=O.
What is the InChIKey of N-oxoethanimidamide?
The InChIKey is CEXSZAUGXXHEBX-NSCUHMNNSA-N. The full InChI is InChI=1S/C2H4N2O/c1-2(3)4-5/h3H,1H3/b3-2+.
What are the key properties of N-oxoethanimidamide?
N-oxoethanimidamide has a molecular weight of 72.07 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxoethanimidamide is sourced from PubChem (CID 134954797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).