[(E)-2-oxopropylideneamino]urea

C4H7N3O2 — CID 13238217

IUPAC[(E)-2-oxopropylideneamino]urea
SMILESCC(=O)/C=N/NC(N)=O
InChIInChI=1S/C4H7N3O2/c1-3(8)2-6-7-4(5)9/h2H,1H3,(H3,5,7,9)/b6-2+
InChIKeyHGRIDMICBOCYTO-QHHAFSJGSA-N
MW129.12 g/mol
LogP-0.77
Rot. Bonds2

About [(E)-2-oxopropylideneamino]urea

[(E)-2-oxopropylideneamino]urea (PubChem CID 13238217) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is [(E)-2-oxopropylideneamino]urea.

Molecular Properties

Compound Name[(E)-2-oxopropylideneamino]urea
PubChem CID13238217
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name[(E)-2-oxopropylideneamino]urea
SMILESCC(=O)/C=N/NC(N)=O
InChIInChI=1S/C4H7N3O2/c1-3(8)2-6-7-4(5)9/h2H,1H3,(H3,5,7,9)/b6-2+
InChIKeyHGRIDMICBOCYTO-QHHAFSJGSA-N
XLogP-0.77
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-oxopropylideneamino]urea?
The IUPAC name of [(E)-2-oxopropylideneamino]urea (CID 13238217) is [(E)-2-oxopropylideneamino]urea.
What is the SMILES notation for [(E)-2-oxopropylideneamino]urea?
The canonical SMILES for [(E)-2-oxopropylideneamino]urea is CC(=O)/C=N/NC(N)=O.
What is the InChIKey of [(E)-2-oxopropylideneamino]urea?
The InChIKey is HGRIDMICBOCYTO-QHHAFSJGSA-N. The full InChI is InChI=1S/C4H7N3O2/c1-3(8)2-6-7-4(5)9/h2H,1H3,(H3,5,7,9)/b6-2+.
What are the key properties of [(E)-2-oxopropylideneamino]urea?
[(E)-2-oxopropylideneamino]urea has a molecular weight of 129.12 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-oxopropylideneamino]urea is sourced from PubChem (CID 13238217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).