2-methoxyethylideneurea

C4H8N2O2 — CID 91020295

IUPAC2-methoxyethylideneurea
SMILESCOCC=NC(N)=O
InChIInChI=1S/C4H8N2O2/c1-8-3-2-6-4(5)7/h2H,3H2,1H3,(H2,5,7)
InChIKeyMTYRTUAKOBAELT-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.22
Rot. Bonds2

About 2-methoxyethylideneurea

2-methoxyethylideneurea (PubChem CID 91020295) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-methoxyethylideneurea.

Molecular Properties

Compound Name2-methoxyethylideneurea
PubChem CID91020295
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name2-methoxyethylideneurea
SMILESCOCC=NC(N)=O
InChIInChI=1S/C4H8N2O2/c1-8-3-2-6-4(5)7/h2H,3H2,1H3,(H2,5,7)
InChIKeyMTYRTUAKOBAELT-UHFFFAOYSA-N
XLogP-0.22
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethylideneurea?
The IUPAC name of 2-methoxyethylideneurea (CID 91020295) is 2-methoxyethylideneurea.
What is the SMILES notation for 2-methoxyethylideneurea?
The canonical SMILES for 2-methoxyethylideneurea is COCC=NC(N)=O.
What is the InChIKey of 2-methoxyethylideneurea?
The InChIKey is MTYRTUAKOBAELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-8-3-2-6-4(5)7/h2H,3H2,1H3,(H2,5,7).
What are the key properties of 2-methoxyethylideneurea?
2-methoxyethylideneurea has a molecular weight of 116.12 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethylideneurea is sourced from PubChem (CID 91020295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).