5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione

C14H9N3O5 — CID 3096631

IUPAC5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)N1
InChIInChI=1S/C14H9N3O5/c18-13-10(15-14(19)16-13)7-8-5-6-12(22-8)9-3-1-2-4-11(9)17(20)21/h1-7H,(H2,15,16,18,19)
InChIKeyKXLJHGDTICKFAU-UHFFFAOYSA-N
MW299.24 g/mol
LogP2.04
Rot. Bonds3

About 5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione

5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 3096631) has the molecular formula C14H9N3O5 and a molecular weight of 299.24 g/mol. Its IUPAC name is 5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
PubChem CID3096631
Molecular FormulaC14H9N3O5
Molecular Weight299.24 g/mol
Exact Mass299.05
IUPAC Name5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)N1
InChIInChI=1S/C14H9N3O5/c18-13-10(15-14(19)16-13)7-8-5-6-12(22-8)9-3-1-2-4-11(9)17(20)21/h1-7H,(H2,15,16,18,19)
InChIKeyKXLJHGDTICKFAU-UHFFFAOYSA-N
XLogP2.04
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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

(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126243676
(5Z)-3-ethyl-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 126243794
(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 34258040
N-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]formamide
CID 140752039
(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one
CID 914574
(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135699268
(5Z)-3-(2-fluorophenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 24510248
5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-dioxane-4,6-dione
CID 1341220
(E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea
CID 137003806
(4Z)-2-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 5440460
3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enal
CID 4771794
(5Z)-2-(4-chlorophenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136782310

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione (CID 3096631) is 5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)N1.
What is the InChIKey of 5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is KXLJHGDTICKFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O5/c18-13-10(15-14(19)16-13)7-8-5-6-12(22-8)9-3-1-2-4-11(9)17(20)21/h1-7H,(H2,15,16,18,19).
What are the key properties of 5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 299.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 3096631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).