1-ethenyl-1-(2-oxoethyl)urea

C5H8N2O2 — CID 54465783

IUPAC1-ethenyl-1-(2-oxoethyl)urea
SMILESC=CN(CC=O)C(N)=O
InChIInChI=1S/C5H8N2O2/c1-2-7(3-4-8)5(6)9/h2,4H,1,3H2,(H2,6,9)
InChIKeyXETBNYUHBDSNAB-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.29
Rot. Bonds3

About 1-ethenyl-1-(2-oxoethyl)urea

1-ethenyl-1-(2-oxoethyl)urea (PubChem CID 54465783) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 1-ethenyl-1-(2-oxoethyl)urea.

Molecular Properties

Compound Name1-ethenyl-1-(2-oxoethyl)urea
PubChem CID54465783
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name1-ethenyl-1-(2-oxoethyl)urea
SMILESC=CN(CC=O)C(N)=O
InChIInChI=1S/C5H8N2O2/c1-2-7(3-4-8)5(6)9/h2,4H,1,3H2,(H2,6,9)
InChIKeyXETBNYUHBDSNAB-UHFFFAOYSA-N
XLogP-0.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.29
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 1-ethenyl-1-(2-oxoethyl)urea?
The IUPAC name of 1-ethenyl-1-(2-oxoethyl)urea (CID 54465783) is 1-ethenyl-1-(2-oxoethyl)urea.
What is the SMILES notation for 1-ethenyl-1-(2-oxoethyl)urea?
The canonical SMILES for 1-ethenyl-1-(2-oxoethyl)urea is C=CN(CC=O)C(N)=O.
What is the InChIKey of 1-ethenyl-1-(2-oxoethyl)urea?
The InChIKey is XETBNYUHBDSNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-2-7(3-4-8)5(6)9/h2,4H,1,3H2,(H2,6,9).
What are the key properties of 1-ethenyl-1-(2-oxoethyl)urea?
1-ethenyl-1-(2-oxoethyl)urea has a molecular weight of 128.13 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-(2-oxoethyl)urea is sourced from PubChem (CID 54465783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).