N-[(E)-2-oxopropylideneamino]acetamide

C5H8N2O2 — CID 59676388

IUPACN-[(E)-2-oxopropylideneamino]acetamide
SMILESCC(=O)/C=N/NC(C)=O
InChIInChI=1S/C5H8N2O2/c1-4(8)3-6-7-5(2)9/h3H,1-2H3,(H,7,9)/b6-3+
InChIKeyZMXZPDXBIRTUNF-ZZXKWVIFSA-N
MW128.13 g/mol
LogP-0.30
Rot. Bonds2

About N-[(E)-2-oxopropylideneamino]acetamide

N-[(E)-2-oxopropylideneamino]acetamide (PubChem CID 59676388) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is N-[(E)-2-oxopropylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-2-oxopropylideneamino]acetamide
PubChem CID59676388
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC NameN-[(E)-2-oxopropylideneamino]acetamide
SMILESCC(=O)/C=N/NC(C)=O
InChIInChI=1S/C5H8N2O2/c1-4(8)3-6-7-5(2)9/h3H,1-2H3,(H,7,9)/b6-3+
InChIKeyZMXZPDXBIRTUNF-ZZXKWVIFSA-N
XLogP-0.30
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-oxopropylideneamino]acetamide?
The IUPAC name of N-[(E)-2-oxopropylideneamino]acetamide (CID 59676388) is N-[(E)-2-oxopropylideneamino]acetamide.
What is the SMILES notation for N-[(E)-2-oxopropylideneamino]acetamide?
The canonical SMILES for N-[(E)-2-oxopropylideneamino]acetamide is CC(=O)/C=N/NC(C)=O.
What is the InChIKey of N-[(E)-2-oxopropylideneamino]acetamide?
The InChIKey is ZMXZPDXBIRTUNF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-4(8)3-6-7-5(2)9/h3H,1-2H3,(H,7,9)/b6-3+.
What are the key properties of N-[(E)-2-oxopropylideneamino]acetamide?
N-[(E)-2-oxopropylideneamino]acetamide has a molecular weight of 128.13 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-oxopropylideneamino]acetamide is sourced from PubChem (CID 59676388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).