1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione

C8H6N4O5 — CID 6604200

💊View drug profile → nitrofurantoin
IUPAC1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1
InChIInChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
InChIKeyNXFQHRVNIOXGAQ-YCRREMRBSA-N
MW238.16 g/mol
LogP0.07
Rot. Bonds3

About 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione

1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 6604200) has the molecular formula C8H6N4O5 and a molecular weight of 238.16 g/mol. Its IUPAC name is 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
PubChem CID6604200
Molecular FormulaC8H6N4O5
Molecular Weight238.16 g/mol
Exact Mass238.03
IUPAC Name1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1
InChIInChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
InChIKeyNXFQHRVNIOXGAQ-YCRREMRBSA-N
XLogP0.07
TPSA118.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)
CID 77176029
[5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]-hydroxy-oxoazanium
CID 157046616
1-[(E)-[(Z)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]imidazolidine-2,4-dione
CID 6870645
2-(2-methyl-5-nitroimidazol-1-yl)ethanol;1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 174828543
3-(hydroxymethyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 6436103
(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
CID 86294905
3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 154206915
1-methylpyridin-1-ium;1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 22750243
1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 175428899
1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione
CID 71373871
8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2525139
(1S,2S,6S,7R)-4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 6541522

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione (CID 6604200) is 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione is O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1.
What is the InChIKey of 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is NXFQHRVNIOXGAQ-YCRREMRBSA-N. The full InChI is InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+.
What are the key properties of 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione?
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 238.16 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 6604200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).