2-ethoxyethylideneurea

C5H10N2O2 — CID 150916438

IUPAC2-ethoxyethylideneurea
SMILESCCOCC=NC(N)=O
InChIInChI=1S/C5H10N2O2/c1-2-9-4-3-7-5(6)8/h3H,2,4H2,1H3,(H2,6,8)
InChIKeyLDCFCGHMOULVJE-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.17
Rot. Bonds3

About 2-ethoxyethylideneurea

2-ethoxyethylideneurea (PubChem CID 150916438) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 2-ethoxyethylideneurea.

Molecular Properties

Compound Name2-ethoxyethylideneurea
PubChem CID150916438
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name2-ethoxyethylideneurea
SMILESCCOCC=NC(N)=O
InChIInChI=1S/C5H10N2O2/c1-2-9-4-3-7-5(6)8/h3H,2,4H2,1H3,(H2,6,8)
InChIKeyLDCFCGHMOULVJE-UHFFFAOYSA-N
XLogP0.17
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethylideneurea?
The IUPAC name of 2-ethoxyethylideneurea (CID 150916438) is 2-ethoxyethylideneurea.
What is the SMILES notation for 2-ethoxyethylideneurea?
The canonical SMILES for 2-ethoxyethylideneurea is CCOCC=NC(N)=O.
What is the InChIKey of 2-ethoxyethylideneurea?
The InChIKey is LDCFCGHMOULVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-2-9-4-3-7-5(6)8/h3H,2,4H2,1H3,(H2,6,8).
What are the key properties of 2-ethoxyethylideneurea?
2-ethoxyethylideneurea has a molecular weight of 130.15 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethylideneurea is sourced from PubChem (CID 150916438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).