1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea

C10H12N2O4 — CID 108871924

IUPAC1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea
SMILESO=C(Nc1cc(O)c(O)c(O)c1)NC1CC1
InChIInChI=1S/C10H12N2O4/c13-7-3-6(4-8(14)9(7)15)12-10(16)11-5-1-2-5/h3-5,13-15H,1-2H2,(H2,11,12,16)
InChIKeyYQOMAILIFFHPKW-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.09
Rot. Bonds2

About 1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea

1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea (PubChem CID 108871924) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea
PubChem CID108871924
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea
SMILESO=C(Nc1cc(O)c(O)c(O)c1)NC1CC1
InChIInChI=1S/C10H12N2O4/c13-7-3-6(4-8(14)9(7)15)12-10(16)11-5-1-2-5/h3-5,13-15H,1-2H2,(H2,11,12,16)
InChIKeyYQOMAILIFFHPKW-UHFFFAOYSA-N
XLogP1.09
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64780517
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-cyclopropyl-3-pyrimidin-5-ylurea
CID 104859363
5-(cyclohexylcarbamoylamino)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
CID 163138914
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
CID 47162368
1-(4-bromo-3,5-dimethylphenyl)-3-cyclobutylurea
CID 103582018
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea
CID 22932413

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea?
The IUPAC name of 1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea (CID 108871924) is 1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea is O=C(Nc1cc(O)c(O)c(O)c1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea?
The InChIKey is YQOMAILIFFHPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-7-3-6(4-8(14)9(7)15)12-10(16)11-5-1-2-5/h3-5,13-15H,1-2H2,(H2,11,12,16).
What are the key properties of 1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea?
1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea has a molecular weight of 224.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea is sourced from PubChem (CID 108871924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).