[(E)-propylideneamino]urea

C4H9N3O — CID 55208187

IUPAC[(E)-propylideneamino]urea
SMILESCC/C=N/NC(N)=O
InChIInChI=1S/C4H9N3O/c1-2-3-6-7-4(5)8/h3H,2H2,1H3,(H3,5,7,8)/b6-3+
InChIKeyJRQHXZCNQQDNTJ-ZZXKWVIFSA-N
MW115.14 g/mol
LogP0.05
Rot. Bonds2

About [(E)-propylideneamino]urea

[(E)-propylideneamino]urea (PubChem CID 55208187) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is [(E)-propylideneamino]urea.

Molecular Properties

Compound Name[(E)-propylideneamino]urea
PubChem CID55208187
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name[(E)-propylideneamino]urea
SMILESCC/C=N/NC(N)=O
InChIInChI=1S/C4H9N3O/c1-2-3-6-7-4(5)8/h3H,2H2,1H3,(H3,5,7,8)/b6-3+
InChIKeyJRQHXZCNQQDNTJ-ZZXKWVIFSA-N
XLogP0.05
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-propylideneamino]urea?
The IUPAC name of [(E)-propylideneamino]urea (CID 55208187) is [(E)-propylideneamino]urea.
What is the SMILES notation for [(E)-propylideneamino]urea?
The canonical SMILES for [(E)-propylideneamino]urea is CC/C=N/NC(N)=O.
What is the InChIKey of [(E)-propylideneamino]urea?
The InChIKey is JRQHXZCNQQDNTJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H9N3O/c1-2-3-6-7-4(5)8/h3H,2H2,1H3,(H3,5,7,8)/b6-3+.
What are the key properties of [(E)-propylideneamino]urea?
[(E)-propylideneamino]urea has a molecular weight of 115.14 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-propylideneamino]urea is sourced from PubChem (CID 55208187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).