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

C10H7N3O4 — CID 5467828

IUPAC(5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)N1
InChIInChI=1S/C10H7N3O4/c14-9-8(11-10(15)12-9)5-6-2-1-3-7(4-6)13(16)17/h1-5H,(H2,11,12,14,15)/b8-5+
InChIKeyUXLLZDWZJYMJKG-VMPITWQZSA-N
MW233.18 g/mol
LogP0.78
Rot. Bonds2

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

(5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 5467828) has the molecular formula C10H7N3O4 and a molecular weight of 233.18 g/mol. Its IUPAC name is (5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID5467828
Molecular FormulaC10H7N3O4
Molecular Weight233.18 g/mol
Exact Mass233.04
IUPAC Name(5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)N1
InChIInChI=1S/C10H7N3O4/c14-9-8(11-10(15)12-9)5-6-2-1-3-7(4-6)13(16)17/h1-5H,(H2,11,12,14,15)/b8-5+
InChIKeyUXLLZDWZJYMJKG-VMPITWQZSA-N
XLogP0.78
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione
CID 135503320
(5Z)-5-[(3-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 44590759
(5E)-5-[[3,5-diiodo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 6043856
(5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 6858430
4-[(3-nitrophenyl)methylidene]isoquinoline-1,3-dione
CID 91942073
(5E)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1241126
(5Z)-5-[[3-iodo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 2271649
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
CID 91247316
3-(4-chlorophenyl)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 3066797
ethyl (5E)-4-hydroxy-5-[(3-nitrophenyl)methylidene]-2-oxopyrrole-3-carboxylate
CID 54712850
(3E)-1-acetyl-3-[(3-nitrophenyl)methylidene]piperazine-2,5-dione
CID 5392142

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione (CID 5467828) is (5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)N1.
What is the InChIKey of (5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is UXLLZDWZJYMJKG-VMPITWQZSA-N. The full InChI is InChI=1S/C10H7N3O4/c14-9-8(11-10(15)12-9)5-6-2-1-3-7(4-6)13(16)17/h1-5H,(H2,11,12,14,15)/b8-5+.
What are the key properties of (5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 233.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 5467828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).