N-(2-oxoethyl)acetamide

C4H7NO2 — CID 537906

IUPACN-(2-oxoethyl)acetamide
SMILESCC(=O)NCC=O
InChIInChI=1S/C4H7NO2/c1-4(7)5-2-3-6/h3H,2H2,1H3,(H,5,7)
InChIKeyKCRRYOSHXIMXSZ-UHFFFAOYSA-N
MW101.10 g/mol
LogP-0.68
Rot. Bonds2

About N-(2-oxoethyl)acetamide

N-(2-oxoethyl)acetamide (PubChem CID 537906) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is N-(2-oxoethyl)acetamide.

Molecular Properties

Compound NameN-(2-oxoethyl)acetamide
PubChem CID537906
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC NameN-(2-oxoethyl)acetamide
SMILESCC(=O)NCC=O
InChIInChI=1S/C4H7NO2/c1-4(7)5-2-3-6/h3H,2H2,1H3,(H,5,7)
InChIKeyKCRRYOSHXIMXSZ-UHFFFAOYSA-N
XLogP-0.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxoethyl)acetamide?
The IUPAC name of N-(2-oxoethyl)acetamide (CID 537906) is N-(2-oxoethyl)acetamide.
What is the SMILES notation for N-(2-oxoethyl)acetamide?
The canonical SMILES for N-(2-oxoethyl)acetamide is CC(=O)NCC=O.
What is the InChIKey of N-(2-oxoethyl)acetamide?
The InChIKey is KCRRYOSHXIMXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-4(7)5-2-3-6/h3H,2H2,1H3,(H,5,7).
What are the key properties of N-(2-oxoethyl)acetamide?
N-(2-oxoethyl)acetamide has a molecular weight of 101.10 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoethyl)acetamide is sourced from PubChem (CID 537906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).