[[(E)-2-hydroxyethenyl]amino]urea

C3H7N3O2 — CID 55291009

IUPAC[[(E)-2-hydroxyethenyl]amino]urea
SMILESNC(=O)NN/C=C/O
InChIInChI=1S/C3H7N3O2/c4-3(8)6-5-1-2-7/h1-2,5,7H,(H3,4,6,8)/b2-1+
InChIKeyCCEPCWMLWGYBFB-OWOJBTEDSA-N
MW117.11 g/mol
LogP-0.81
Rot. Bonds2

About [[(E)-2-hydroxyethenyl]amino]urea

[[(E)-2-hydroxyethenyl]amino]urea (PubChem CID 55291009) has the molecular formula C3H7N3O2 and a molecular weight of 117.11 g/mol. Its IUPAC name is [[(E)-2-hydroxyethenyl]amino]urea.

Molecular Properties

Compound Name[[(E)-2-hydroxyethenyl]amino]urea
PubChem CID55291009
Molecular FormulaC3H7N3O2
Molecular Weight117.11 g/mol
Exact Mass117.05
IUPAC Name[[(E)-2-hydroxyethenyl]amino]urea
SMILESNC(=O)NN/C=C/O
InChIInChI=1S/C3H7N3O2/c4-3(8)6-5-1-2-7/h1-2,5,7H,(H3,4,6,8)/b2-1+
InChIKeyCCEPCWMLWGYBFB-OWOJBTEDSA-N
XLogP-0.81
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.11
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea
CID 4622356
1-(carbamoylamino)-3-oxidourea
CID 141040084
(E)-prop-1-en-1-ol;urea
CID 87083567
propanediamide
CID 7911
(2-methylpropanoylamino)urea
CID 60704517
3-hydroxyprop-2-enamide;hydrochloride
CID 87220592
[[(2R)-2-amino-1-oxopropan-2-yl]amino]urea
CID 57321142
ethyl N-(2-hydroxyethenyl)carbamate
CID 173181517
(2-carbamoylhydrazinyl) hydrogen carbonate
CID 87781235
2-(2-formylhydrazinyl)-2-oxoacetamide
CID 13388212
CID 173237266
CID 173237266
hydroxyurea;dihydrochloride
CID 175264488

Frequently Asked Questions

What is the IUPAC name of [[(E)-2-hydroxyethenyl]amino]urea?
The IUPAC name of [[(E)-2-hydroxyethenyl]amino]urea (CID 55291009) is [[(E)-2-hydroxyethenyl]amino]urea.
What is the SMILES notation for [[(E)-2-hydroxyethenyl]amino]urea?
The canonical SMILES for [[(E)-2-hydroxyethenyl]amino]urea is NC(=O)NN/C=C/O.
What is the InChIKey of [[(E)-2-hydroxyethenyl]amino]urea?
The InChIKey is CCEPCWMLWGYBFB-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H7N3O2/c4-3(8)6-5-1-2-7/h1-2,5,7H,(H3,4,6,8)/b2-1+.
What are the key properties of [[(E)-2-hydroxyethenyl]amino]urea?
[[(E)-2-hydroxyethenyl]amino]urea has a molecular weight of 117.11 g/mol, XLogP of -0.81, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-2-hydroxyethenyl]amino]urea is sourced from PubChem (CID 55291009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).