1-(1-hydroxyindol-2-yl)ethylurea

C11H13N3O2 — CID 19846317

IUPAC1-(1-hydroxyindol-2-yl)ethylurea
SMILESCC(NC(N)=O)c1cc2ccccc2n1O
InChIInChI=1S/C11H13N3O2/c1-7(13-11(12)15)10-6-8-4-2-3-5-9(8)14(10)16/h2-7,16H,1H3,(H3,12,13,15)
InChIKeyOQCRHHVBYBZCCT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.61
Rot. Bonds2

About 1-(1-hydroxyindol-2-yl)ethylurea

1-(1-hydroxyindol-2-yl)ethylurea (PubChem CID 19846317) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(1-hydroxyindol-2-yl)ethylurea.

Molecular Properties

Compound Name1-(1-hydroxyindol-2-yl)ethylurea
PubChem CID19846317
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-(1-hydroxyindol-2-yl)ethylurea
SMILESCC(NC(N)=O)c1cc2ccccc2n1O
InChIInChI=1S/C11H13N3O2/c1-7(13-11(12)15)10-6-8-4-2-3-5-9(8)14(10)16/h2-7,16H,1H3,(H3,12,13,15)
InChIKeyOQCRHHVBYBZCCT-UHFFFAOYSA-N
XLogP1.61
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyindol-2-yl)ethylurea?
The IUPAC name of 1-(1-hydroxyindol-2-yl)ethylurea (CID 19846317) is 1-(1-hydroxyindol-2-yl)ethylurea.
What is the SMILES notation for 1-(1-hydroxyindol-2-yl)ethylurea?
The canonical SMILES for 1-(1-hydroxyindol-2-yl)ethylurea is CC(NC(N)=O)c1cc2ccccc2n1O.
What is the InChIKey of 1-(1-hydroxyindol-2-yl)ethylurea?
The InChIKey is OQCRHHVBYBZCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(13-11(12)15)10-6-8-4-2-3-5-9(8)14(10)16/h2-7,16H,1H3,(H3,12,13,15).
What are the key properties of 1-(1-hydroxyindol-2-yl)ethylurea?
1-(1-hydroxyindol-2-yl)ethylurea has a molecular weight of 219.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyindol-2-yl)ethylurea is sourced from PubChem (CID 19846317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).