1-hydroxy-1-(2-indol-1-ylethyl)urea

C11H13N3O2 — CID 19887629

IUPAC1-hydroxy-1-(2-indol-1-ylethyl)urea
SMILESNC(=O)N(O)CCn1ccc2ccccc21
InChIInChI=1S/C11H13N3O2/c12-11(15)14(16)8-7-13-6-5-9-3-1-2-4-10(9)13/h1-6,16H,7-8H2,(H2,12,15)
InChIKeyUACSVCPZWVPBMK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.41
Rot. Bonds3

About 1-hydroxy-1-(2-indol-1-ylethyl)urea

1-hydroxy-1-(2-indol-1-ylethyl)urea (PubChem CID 19887629) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-hydroxy-1-(2-indol-1-ylethyl)urea.

Molecular Properties

Compound Name1-hydroxy-1-(2-indol-1-ylethyl)urea
PubChem CID19887629
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-hydroxy-1-(2-indol-1-ylethyl)urea
SMILESNC(=O)N(O)CCn1ccc2ccccc21
InChIInChI=1S/C11H13N3O2/c12-11(15)14(16)8-7-13-6-5-9-3-1-2-4-10(9)13/h1-6,16H,7-8H2,(H2,12,15)
InChIKeyUACSVCPZWVPBMK-UHFFFAOYSA-N
XLogP1.41
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 1-hydroxy-1-(2-indol-1-ylethyl)urea?
The IUPAC name of 1-hydroxy-1-(2-indol-1-ylethyl)urea (CID 19887629) is 1-hydroxy-1-(2-indol-1-ylethyl)urea.
What is the SMILES notation for 1-hydroxy-1-(2-indol-1-ylethyl)urea?
The canonical SMILES for 1-hydroxy-1-(2-indol-1-ylethyl)urea is NC(=O)N(O)CCn1ccc2ccccc21.
What is the InChIKey of 1-hydroxy-1-(2-indol-1-ylethyl)urea?
The InChIKey is UACSVCPZWVPBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-11(15)14(16)8-7-13-6-5-9-3-1-2-4-10(9)13/h1-6,16H,7-8H2,(H2,12,15).
What are the key properties of 1-hydroxy-1-(2-indol-1-ylethyl)urea?
1-hydroxy-1-(2-indol-1-ylethyl)urea has a molecular weight of 219.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(2-indol-1-ylethyl)urea is sourced from PubChem (CID 19887629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).