2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)

C8H6N4NaO5 — CID 77176029

IUPAC—
SMILESO=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1.[Na]
InChIInChI=1S/C8H6N4O5.Na/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);
InChIKeyIGEOXMZNNDNZOY-UHFFFAOYSA-N
MW261.15 g/mol
LogP-0.31
Rot. Bonds3

About 2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)

2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1) (PubChem CID 77176029) has the molecular formula C8H6N4NaO5 and a molecular weight of 261.15 g/mol.

Molecular Properties

Compound Name2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)
PubChem CID77176029
Molecular FormulaC8H6N4NaO5
Molecular Weight261.15 g/mol
Exact Mass261.02
IUPAC Name—
SMILESO=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1.[Na]
InChIInChI=1S/C8H6N4O5.Na/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);
InChIKeyIGEOXMZNNDNZOY-UHFFFAOYSA-N
XLogP-0.31
TPSA118.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 5-0.31
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

1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 6604200
[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
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 26918

Frequently Asked Questions

What is the IUPAC name of 2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)?
The IUPAC name of 2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1) (CID 77176029) is not available.
What is the SMILES notation for 2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)?
The canonical SMILES for 2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1) is O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1.[Na].
What is the InChIKey of 2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)?
The InChIKey is IGEOXMZNNDNZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O5.Na/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);.
What are the key properties of 2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)?
2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1) has a molecular weight of 261.15 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1) is sourced from PubChem (CID 77176029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).