1-ethoxy-3-methylurea

C4H10N2O2 — CID 87241243

IUPAC1-ethoxy-3-methylurea
SMILESCCONC(=O)NC
InChIInChI=1S/C4H10N2O2/c1-3-8-6-4(7)5-2/h3H2,1-2H3,(H2,5,6,7)
InChIKeyWTUNFOIATZGLMM-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.13
Rot. Bonds2

About 1-ethoxy-3-methylurea

1-ethoxy-3-methylurea (PubChem CID 87241243) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 1-ethoxy-3-methylurea.

Molecular Properties

Compound Name1-ethoxy-3-methylurea
PubChem CID87241243
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name1-ethoxy-3-methylurea
SMILESCCONC(=O)NC
InChIInChI=1S/C4H10N2O2/c1-3-8-6-4(7)5-2/h3H2,1-2H3,(H2,5,6,7)
InChIKeyWTUNFOIATZGLMM-UHFFFAOYSA-N
XLogP-0.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methylurea?
The IUPAC name of 1-ethoxy-3-methylurea (CID 87241243) is 1-ethoxy-3-methylurea.
What is the SMILES notation for 1-ethoxy-3-methylurea?
The canonical SMILES for 1-ethoxy-3-methylurea is CCONC(=O)NC.
What is the InChIKey of 1-ethoxy-3-methylurea?
The InChIKey is WTUNFOIATZGLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-3-8-6-4(7)5-2/h3H2,1-2H3,(H2,5,6,7).
What are the key properties of 1-ethoxy-3-methylurea?
1-ethoxy-3-methylurea has a molecular weight of 118.14 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methylurea is sourced from PubChem (CID 87241243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).