(5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione

C15H11N3O5 — CID 674860

IUPAC(5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
SMILESCc1ccc(-c2ccc(/C=C3/NC(=O)NC3=O)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H11N3O5/c1-8-2-3-9(6-12(8)18(21)22)13-5-4-10(23-13)7-11-14(19)17-15(20)16-11/h2-7H,1H3,(H2,16,17,19,20)/b11-7+
InChIKeyWJRKIEZGSVCANQ-YRNVUSSQSA-N
MW313.27 g/mol
LogP2.34
Rot. Bonds3

About (5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione

(5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 674860) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is (5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
PubChem CID674860
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name(5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
SMILESCc1ccc(-c2ccc(/C=C3/NC(=O)NC3=O)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H11N3O5/c1-8-2-3-9(6-12(8)18(21)22)13-5-4-10(23-13)7-11-14(19)17-15(20)16-11/h2-7H,1H3,(H2,16,17,19,20)/b11-7+
InChIKeyWJRKIEZGSVCANQ-YRNVUSSQSA-N
XLogP2.34
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.34
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

5-[5-(3-Nitro-phenyl)-furan-2-ylmethylene]-thiazolidine-2,4-dione
CID 1576348
5-[[5-(2-Nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2256034
N-{1-tert-Butylcarbamoyl-2-[5-(3-nitro-phenyl)-furan-2-yl]-vinyl}-4-methyl-benzamide
CID 1604503
(2E)-N,N-dimethyl-3-[5-(3-nitrophenyl)(2-furyl)]-2-(phenylcarbonylamino)prop-2-enamide
CID 5508197
5-[(5-{4-Nitrophenyl}-2-furyl)methylene]-2-thioxo-4-imidazolidinone
CID 5718019
(5Z)-4-methyl-5-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-2,6-dioxopyridine-3-carbonitrile
CID 5884223
N-{(Z)-1-tert-Butylcarbamoyl-2-[5-(3-nitro-phenyl)-furan-2-yl]-vinyl}-4-methyl-benzamide
CID 6510409
(5E)-2-imino-5-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 155558812
5-[(5-{2-Chloro-5-nitrophenyl}-2-furyl)methylene]-2-thioxo-4-imidazolidinone
CID 696249
N-{1-Isopropylcarbamoyl-2-[5-(3-nitro-phenyl)-furan-2-yl]-vinyl}-4-methyl-benzamide
CID 1915584
N-{1-[(dimethylamino)carbonyl]-2-[5-(3-nitrophenyl)-2-furyl]vinyl}benzamide
CID 2188248
(Z)-5-((5-(2-nitrophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione
CID 5753500

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione (CID 674860) is (5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione is Cc1ccc(-c2ccc(/C=C3/NC(=O)NC3=O)o2)cc1[N+](=O)[O-].
What is the InChIKey of (5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is WJRKIEZGSVCANQ-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H11N3O5/c1-8-2-3-9(6-12(8)18(21)22)13-5-4-10(23-13)7-11-14(19)17-15(20)16-11/h2-7H,1H3,(H2,16,17,19,20)/b11-7+.
What are the key properties of (5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
(5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 313.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 674860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).