N-ethanimidoylacetamide

C4H8N2O — CID 149150437

IUPACN-ethanimidoylacetamide
SMILES[H]/N=C(\C)NC(C)=O
InChIInChI=1S/C4H8N2O/c1-3(5)6-4(2)7/h1-2H3,(H2,5,6,7)
InChIKeyVFQUGUQMEDNBER-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.12
Rot. Bonds

About N-ethanimidoylacetamide

N-ethanimidoylacetamide (PubChem CID 149150437) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is N-ethanimidoylacetamide.

Molecular Properties

Compound NameN-ethanimidoylacetamide
PubChem CID149150437
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC NameN-ethanimidoylacetamide
SMILES[H]/N=C(\C)NC(C)=O
InChIInChI=1S/C4H8N2O/c1-3(5)6-4(2)7/h1-2H3,(H2,5,6,7)
InChIKeyVFQUGUQMEDNBER-UHFFFAOYSA-N
XLogP0.12
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.12
H-Bond Donors ≤ 52
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-ethanimidoylacetamide?
The IUPAC name of N-ethanimidoylacetamide (CID 149150437) is N-ethanimidoylacetamide.
What is the SMILES notation for N-ethanimidoylacetamide?
The canonical SMILES for N-ethanimidoylacetamide is [H]/N=C(\C)NC(C)=O.
What is the InChIKey of N-ethanimidoylacetamide?
The InChIKey is VFQUGUQMEDNBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3(5)6-4(2)7/h1-2H3,(H2,5,6,7).
What are the key properties of N-ethanimidoylacetamide?
N-ethanimidoylacetamide has a molecular weight of 100.12 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanimidoylacetamide is sourced from PubChem (CID 149150437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).