1-ethenyl-1-(hydroxymethyl)urea

C4H8N2O2 — CID 141237690

IUPAC1-ethenyl-1-(hydroxymethyl)urea
SMILESC=CN(CO)C(N)=O
InChIInChI=1S/C4H8N2O2/c1-2-6(3-7)4(5)8/h2,7H,1,3H2,(H2,5,8)
InChIKeyKVWPQGXFRWSRMY-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.54
Rot. Bonds2

About 1-ethenyl-1-(hydroxymethyl)urea

1-ethenyl-1-(hydroxymethyl)urea (PubChem CID 141237690) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 1-ethenyl-1-(hydroxymethyl)urea.

Molecular Properties

Compound Name1-ethenyl-1-(hydroxymethyl)urea
PubChem CID141237690
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name1-ethenyl-1-(hydroxymethyl)urea
SMILESC=CN(CO)C(N)=O
InChIInChI=1S/C4H8N2O2/c1-2-6(3-7)4(5)8/h2,7H,1,3H2,(H2,5,8)
InChIKeyKVWPQGXFRWSRMY-UHFFFAOYSA-N
XLogP-0.54
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-(hydroxymethyl)urea?
The IUPAC name of 1-ethenyl-1-(hydroxymethyl)urea (CID 141237690) is 1-ethenyl-1-(hydroxymethyl)urea.
What is the SMILES notation for 1-ethenyl-1-(hydroxymethyl)urea?
The canonical SMILES for 1-ethenyl-1-(hydroxymethyl)urea is C=CN(CO)C(N)=O.
What is the InChIKey of 1-ethenyl-1-(hydroxymethyl)urea?
The InChIKey is KVWPQGXFRWSRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-6(3-7)4(5)8/h2,7H,1,3H2,(H2,5,8).
What are the key properties of 1-ethenyl-1-(hydroxymethyl)urea?
1-ethenyl-1-(hydroxymethyl)urea has a molecular weight of 116.12 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-(hydroxymethyl)urea is sourced from PubChem (CID 141237690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).