1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea

C11H12N2O3 — CID 10560861

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea
SMILESCC(c1cc2ccccc2o1)N(O)C(N)=O
InChIInChI=1S/C11H12N2O3/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
InChIKeyHZBNCXPGQZKMRB-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.26
Rot. Bonds2

About 1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea

1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea (PubChem CID 10560861) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea
PubChem CID10560861
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea
SMILESCC(c1cc2ccccc2o1)N(O)C(N)=O
InChIInChI=1S/C11H12N2O3/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
InChIKeyHZBNCXPGQZKMRB-UHFFFAOYSA-N
XLogP2.26
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.26
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-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea (CID 10560861) is 1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea is CC(c1cc2ccccc2o1)N(O)C(N)=O.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea?
The InChIKey is HZBNCXPGQZKMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea?
1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea has a molecular weight of 220.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea is sourced from PubChem (CID 10560861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).