1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea

C4H8N2O3 — CID 88536485

IUPAC1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea
SMILESC=C(O)NC(=O)NCO
InChIInChI=1S/C4H8N2O3/c1-3(8)6-4(9)5-2-7/h7-8H,1-2H2,(H2,5,6,9)
InChIKeyLFLIPNRGEZWXQA-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.74
Rot. Bonds2

About 1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea

1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea (PubChem CID 88536485) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is 1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea.

Molecular Properties

Compound Name1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea
PubChem CID88536485
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea
SMILESC=C(O)NC(=O)NCO
InChIInChI=1S/C4H8N2O3/c1-3(8)6-4(9)5-2-7/h7-8H,1-2H2,(H2,5,6,9)
InChIKeyLFLIPNRGEZWXQA-UHFFFAOYSA-N
XLogP-0.74
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-(1-hydroxyethenyl)-3-(hydroxymethyl)urea?
The IUPAC name of 1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea (CID 88536485) is 1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea.
What is the SMILES notation for 1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea?
The canonical SMILES for 1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea is C=C(O)NC(=O)NCO.
What is the InChIKey of 1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea?
The InChIKey is LFLIPNRGEZWXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-3(8)6-4(9)5-2-7/h7-8H,1-2H2,(H2,5,6,9).
What are the key properties of 1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea?
1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea has a molecular weight of 132.12 g/mol, XLogP of -0.74, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethenyl)-3-(hydroxymethyl)urea is sourced from PubChem (CID 88536485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).