N'-(1-aminoethylidene)oxamide

C4H7N3O2 — CID 87665568

IUPACN'-(1-aminoethylidene)oxamide
SMILESC/C(N)=N\C(=O)C(N)=O
InChIInChI=1S/C4H7N3O2/c1-2(5)7-4(9)3(6)8/h1H3,(H2,6,8)(H2,5,7,9)
InChIKeyCBCIYYFCIJBJCM-UHFFFAOYSA-N
MW129.12 g/mol
LogP-1.62
Rot. Bonds

About N'-(1-aminoethylidene)oxamide

N'-(1-aminoethylidene)oxamide (PubChem CID 87665568) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is N'-(1-aminoethylidene)oxamide.

Molecular Properties

Compound NameN'-(1-aminoethylidene)oxamide
PubChem CID87665568
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC NameN'-(1-aminoethylidene)oxamide
SMILESC/C(N)=N\C(=O)C(N)=O
InChIInChI=1S/C4H7N3O2/c1-2(5)7-4(9)3(6)8/h1H3,(H2,6,8)(H2,5,7,9)
InChIKeyCBCIYYFCIJBJCM-UHFFFAOYSA-N
XLogP-1.62
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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'-(1-aminoethylidene)oxamide?
The IUPAC name of N'-(1-aminoethylidene)oxamide (CID 87665568) is N'-(1-aminoethylidene)oxamide.
What is the SMILES notation for N'-(1-aminoethylidene)oxamide?
The canonical SMILES for N'-(1-aminoethylidene)oxamide is C/C(N)=N\C(=O)C(N)=O.
What is the InChIKey of N'-(1-aminoethylidene)oxamide?
The InChIKey is CBCIYYFCIJBJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c1-2(5)7-4(9)3(6)8/h1H3,(H2,6,8)(H2,5,7,9).
What are the key properties of N'-(1-aminoethylidene)oxamide?
N'-(1-aminoethylidene)oxamide has a molecular weight of 129.12 g/mol, XLogP of -1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-aminoethylidene)oxamide is sourced from PubChem (CID 87665568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).