1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea

C9H9N3O3 — CID 57072103

IUPAC1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea
SMILESO=C1C=C(NC(=O)Nc2ccco2)CN1
InChIInChI=1S/C9H9N3O3/c13-7-4-6(5-10-7)11-9(14)12-8-2-1-3-15-8/h1-4H,5H2,(H,10,13)(H2,11,12,14)
InChIKeyZAYDOJPNOQCPEJ-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.41
Rot. Bonds2

About 1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea

1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea (PubChem CID 57072103) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea
PubChem CID57072103
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea
SMILESO=C1C=C(NC(=O)Nc2ccco2)CN1
InChIInChI=1S/C9H9N3O3/c13-7-4-6(5-10-7)11-9(14)12-8-2-1-3-15-8/h1-4H,5H2,(H,10,13)(H2,11,12,14)
InChIKeyZAYDOJPNOQCPEJ-UHFFFAOYSA-N
XLogP0.41
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea?
The IUPAC name of 1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea (CID 57072103) is 1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea.
What is the SMILES notation for 1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea?
The canonical SMILES for 1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea is O=C1C=C(NC(=O)Nc2ccco2)CN1.
What is the InChIKey of 1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea?
The InChIKey is ZAYDOJPNOQCPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c13-7-4-6(5-10-7)11-9(14)12-8-2-1-3-15-8/h1-4H,5H2,(H,10,13)(H2,11,12,14).
What are the key properties of 1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea?
1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea has a molecular weight of 207.19 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea is sourced from PubChem (CID 57072103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).