[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea

C10H12FN3O2 — CID 135691224

IUPAC[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea
SMILESCC/C(=N\NC(N)=O)c1cc(F)ccc1O
InChIInChI=1S/C10H12FN3O2/c1-2-8(13-14-10(12)16)7-5-6(11)3-4-9(7)15/h3-5,15H,2H2,1H3,(H3,12,14,16)/b13-8+
InChIKeyGYORWHXQHHFGBA-MDWZMJQESA-N
MW225.22 g/mol
LogP1.31
Rot. Bonds3

About [(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea

[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea (PubChem CID 135691224) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is [(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea.

Molecular Properties

Compound Name[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea
PubChem CID135691224
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea
SMILESCC/C(=N\NC(N)=O)c1cc(F)ccc1O
InChIInChI=1S/C10H12FN3O2/c1-2-8(13-14-10(12)16)7-5-6(11)3-4-9(7)15/h3-5,15H,2H2,1H3,(H3,12,14,16)/b13-8+
InChIKeyGYORWHXQHHFGBA-MDWZMJQESA-N
XLogP1.31
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea?
The IUPAC name of [(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea (CID 135691224) is [(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea.
What is the SMILES notation for [(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea?
The canonical SMILES for [(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea is CC/C(=N\NC(N)=O)c1cc(F)ccc1O.
What is the InChIKey of [(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea?
The InChIKey is GYORWHXQHHFGBA-MDWZMJQESA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-2-8(13-14-10(12)16)7-5-6(11)3-4-9(7)15/h3-5,15H,2H2,1H3,(H3,12,14,16)/b13-8+.
What are the key properties of [(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea?
[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea has a molecular weight of 225.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]urea is sourced from PubChem (CID 135691224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).