ethylurea

C3H8N2O — CID 12254

IUPACethylurea
SMILESCCNC(N)=O
InChIInChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)
InChIKeyRYECOJGRJDOGPP-UHFFFAOYSA-N
MW88.11 g/mol
LogP-0.33
Rot. Bonds1

About ethylurea

ethylurea (PubChem CID 12254) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is ethylurea.

Molecular Properties

Compound Nameethylurea
PubChem CID12254
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC Nameethylurea
SMILESCCNC(N)=O
InChIInChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)
InChIKeyRYECOJGRJDOGPP-UHFFFAOYSA-N
XLogP-0.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethylurea?
The IUPAC name of ethylurea (CID 12254) is ethylurea.
What is the SMILES notation for ethylurea?
The canonical SMILES for ethylurea is CCNC(N)=O.
What is the InChIKey of ethylurea?
The InChIKey is RYECOJGRJDOGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6).
What are the key properties of ethylurea?
ethylurea has a molecular weight of 88.11 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylurea is sourced from PubChem (CID 12254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).