1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea

C11H12N2O3 — CID 121216854

IUPAC1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea
SMILESCCNC(=O)NC1OC(=O)c2ccccc21
InChIInChI=1S/C11H12N2O3/c1-2-12-11(15)13-9-7-5-3-4-6-8(7)10(14)16-9/h3-6,9H,2H2,1H3,(H2,12,13,15)
InChIKeyWRQSHAJZXWTERH-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.17
Rot. Bonds2

About 1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea

1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea (PubChem CID 121216854) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea
PubChem CID121216854
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea
SMILESCCNC(=O)NC1OC(=O)c2ccccc21
InChIInChI=1S/C11H12N2O3/c1-2-12-11(15)13-9-7-5-3-4-6-8(7)10(14)16-9/h3-6,9H,2H2,1H3,(H2,12,13,15)
InChIKeyWRQSHAJZXWTERH-UHFFFAOYSA-N
XLogP1.17
TPSA67.43 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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea?
The IUPAC name of 1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea (CID 121216854) is 1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea.
What is the SMILES notation for 1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea?
The canonical SMILES for 1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea is CCNC(=O)NC1OC(=O)c2ccccc21.
What is the InChIKey of 1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea?
The InChIKey is WRQSHAJZXWTERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-12-11(15)13-9-7-5-3-4-6-8(7)10(14)16-9/h3-6,9H,2H2,1H3,(H2,12,13,15).
What are the key properties of 1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea?
1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea has a molecular weight of 220.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea is sourced from PubChem (CID 121216854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).