2-oxo-N-phosphanylacetamide

C2H4NO2P — CID 118246607

IUPAC2-oxo-N-phosphanylacetamide
SMILESO=CC(=O)NP
InChIInChI=1S/C2H4NO2P/c4-1-2(5)3-6/h1H,6H2,(H,3,5)
InChIKeyAICIKMSYVRHWMA-UHFFFAOYSA-N
MW105.03 g/mol
LogP-0.91
Rot. Bonds1

About 2-oxo-N-phosphanylacetamide

2-oxo-N-phosphanylacetamide (PubChem CID 118246607) has the molecular formula C2H4NO2P and a molecular weight of 105.03 g/mol. Its IUPAC name is 2-oxo-N-phosphanylacetamide.

Molecular Properties

Compound Name2-oxo-N-phosphanylacetamide
PubChem CID118246607
Molecular FormulaC2H4NO2P
Molecular Weight105.03 g/mol
Exact Mass105.00
IUPAC Name2-oxo-N-phosphanylacetamide
SMILESO=CC(=O)NP
InChIInChI=1S/C2H4NO2P/c4-1-2(5)3-6/h1H,6H2,(H,3,5)
InChIKeyAICIKMSYVRHWMA-UHFFFAOYSA-N
XLogP-0.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.03
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-phosphanylacetamide?
The IUPAC name of 2-oxo-N-phosphanylacetamide (CID 118246607) is 2-oxo-N-phosphanylacetamide.
What is the SMILES notation for 2-oxo-N-phosphanylacetamide?
The canonical SMILES for 2-oxo-N-phosphanylacetamide is O=CC(=O)NP.
What is the InChIKey of 2-oxo-N-phosphanylacetamide?
The InChIKey is AICIKMSYVRHWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4NO2P/c4-1-2(5)3-6/h1H,6H2,(H,3,5).
What are the key properties of 2-oxo-N-phosphanylacetamide?
2-oxo-N-phosphanylacetamide has a molecular weight of 105.03 g/mol, XLogP of -0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-phosphanylacetamide is sourced from PubChem (CID 118246607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).