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

C10H7N3O4 — CID 6185786

IUPAC(5Z)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)N1
InChIInChI=1S/C10H7N3O4/c14-9-8(11-10(15)12-9)5-6-1-3-7(4-2-6)13(16)17/h1-5H,(H2,11,12,14,15)/b8-5-
InChIKeyMSTWOYMTYLWAGQ-YVMONPNESA-N
MW233.18 g/mol
LogP0.78
Rot. Bonds2

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

(5Z)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 6185786) has the molecular formula C10H7N3O4 and a molecular weight of 233.18 g/mol. Its IUPAC name is (5Z)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID6185786
Molecular FormulaC10H7N3O4
Molecular Weight233.18 g/mol
Exact Mass233.04
IUPAC Name(5Z)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)N1
InChIInChI=1S/C10H7N3O4/c14-9-8(11-10(15)12-9)5-6-1-3-7(4-2-6)13(16)17/h1-5H,(H2,11,12,14,15)/b8-5-
InChIKeyMSTWOYMTYLWAGQ-YVMONPNESA-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione (CID 6185786) is (5Z)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)N1.
What is the InChIKey of (5Z)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is MSTWOYMTYLWAGQ-YVMONPNESA-N. The full InChI is InChI=1S/C10H7N3O4/c14-9-8(11-10(15)12-9)5-6-1-3-7(4-2-6)13(16)17/h1-5H,(H2,11,12,14,15)/b8-5-.
What are the key properties of (5Z)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(4-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 (5Z)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 6185786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).