1-ethenyl-3-methyl-1-(2-oxoethyl)urea

C6H10N2O2 — CID 143201484

IUPAC1-ethenyl-3-methyl-1-(2-oxoethyl)urea
SMILESC=CN(CC=O)C(=O)NC
InChIInChI=1S/C6H10N2O2/c1-3-8(4-5-9)6(10)7-2/h3,5H,1,4H2,2H3,(H,7,10)
InChIKeyXTOLPKWQINGHBK-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.03
Rot. Bonds3

About 1-ethenyl-3-methyl-1-(2-oxoethyl)urea

1-ethenyl-3-methyl-1-(2-oxoethyl)urea (PubChem CID 143201484) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-ethenyl-3-methyl-1-(2-oxoethyl)urea.

Molecular Properties

Compound Name1-ethenyl-3-methyl-1-(2-oxoethyl)urea
PubChem CID143201484
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1-ethenyl-3-methyl-1-(2-oxoethyl)urea
SMILESC=CN(CC=O)C(=O)NC
InChIInChI=1S/C6H10N2O2/c1-3-8(4-5-9)6(10)7-2/h3,5H,1,4H2,2H3,(H,7,10)
InChIKeyXTOLPKWQINGHBK-UHFFFAOYSA-N
XLogP-0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.03
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-3-methyl-1-(2-oxoethyl)urea?
The IUPAC name of 1-ethenyl-3-methyl-1-(2-oxoethyl)urea (CID 143201484) is 1-ethenyl-3-methyl-1-(2-oxoethyl)urea.
What is the SMILES notation for 1-ethenyl-3-methyl-1-(2-oxoethyl)urea?
The canonical SMILES for 1-ethenyl-3-methyl-1-(2-oxoethyl)urea is C=CN(CC=O)C(=O)NC.
What is the InChIKey of 1-ethenyl-3-methyl-1-(2-oxoethyl)urea?
The InChIKey is XTOLPKWQINGHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3-8(4-5-9)6(10)7-2/h3,5H,1,4H2,2H3,(H,7,10).
What are the key properties of 1-ethenyl-3-methyl-1-(2-oxoethyl)urea?
1-ethenyl-3-methyl-1-(2-oxoethyl)urea has a molecular weight of 142.16 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methyl-1-(2-oxoethyl)urea is sourced from PubChem (CID 143201484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).