1-(5-nitrofuran-2-yl)imidazolidin-2-one

C7H7N3O4 — CID 12998976

IUPAC1-(5-nitrofuran-2-yl)imidazolidin-2-one
SMILESO=C1NCCN1c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H7N3O4/c11-7-8-3-4-9(7)5-1-2-6(14-5)10(12)13/h1-2H,3-4H2,(H,8,11)
InChIKeyDLERUFOYHBETOU-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.72
Rot. Bonds2

About 1-(5-nitrofuran-2-yl)imidazolidin-2-one

1-(5-nitrofuran-2-yl)imidazolidin-2-one (PubChem CID 12998976) has the molecular formula C7H7N3O4 and a molecular weight of 197.15 g/mol. Its IUPAC name is 1-(5-nitrofuran-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(5-nitrofuran-2-yl)imidazolidin-2-one
PubChem CID12998976
Molecular FormulaC7H7N3O4
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Name1-(5-nitrofuran-2-yl)imidazolidin-2-one
SMILESO=C1NCCN1c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H7N3O4/c11-7-8-3-4-9(7)5-1-2-6(14-5)10(12)13/h1-2H,3-4H2,(H,8,11)
InChIKeyDLERUFOYHBETOU-UHFFFAOYSA-N
XLogP0.72
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-(5-nitrofuran-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(5-nitrofuran-2-yl)imidazolidin-2-one (CID 12998976) is 1-(5-nitrofuran-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(5-nitrofuran-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(5-nitrofuran-2-yl)imidazolidin-2-one is O=C1NCCN1c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 1-(5-nitrofuran-2-yl)imidazolidin-2-one?
The InChIKey is DLERUFOYHBETOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4/c11-7-8-3-4-9(7)5-1-2-6(14-5)10(12)13/h1-2H,3-4H2,(H,8,11).
What are the key properties of 1-(5-nitrofuran-2-yl)imidazolidin-2-one?
1-(5-nitrofuran-2-yl)imidazolidin-2-one has a molecular weight of 197.15 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitrofuran-2-yl)imidazolidin-2-one is sourced from PubChem (CID 12998976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).