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

C10H7N3O5 — CID 6858430

IUPAC(5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)N1
InChIInChI=1S/C10H7N3O5/c14-8-2-1-5(4-7(8)13(17)18)3-6-9(15)12-10(16)11-6/h1-4,14H,(H2,11,12,15,16)/b6-3-
InChIKeyBDFAXSQHSAMCFA-UTCJRWHESA-N
MW249.18 g/mol
LogP0.48
Rot. Bonds2

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

(5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 6858430) has the molecular formula C10H7N3O5 and a molecular weight of 249.18 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID6858430
Molecular FormulaC10H7N3O5
Molecular Weight249.18 g/mol
Exact Mass249.04
IUPAC Name(5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)N1
InChIInChI=1S/C10H7N3O5/c14-8-2-1-5(4-7(8)13(17)18)3-6-9(15)12-10(16)11-6/h1-4,14H,(H2,11,12,15,16)/b6-3-
InChIKeyBDFAXSQHSAMCFA-UTCJRWHESA-N
XLogP0.48
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 50.48
H-Bond Donors ≤ 53
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-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 4159725
(5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 5467828
4-hydroxy-3-nitrobenzaldehyde
CID 18169
(5E)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 727382
5-[(4-hydroxy-3-nitrophenyl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 6845385
(5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 11833559
3-[(4-hydroxy-3-nitrophenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 1490808
2-tert-butyl-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione
CID 4658550
(5Z)-2-(2-fluorophenyl)imino-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137140282
2-nitro-4-[(E)-prop-1-enyl]phenol
CID 163947820
4-hydroxy-3-nitrobenzaldehyde;iodomethane
CID 174399047
(5Z)-5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 825429

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione (CID 6858430) is (5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)N1.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is BDFAXSQHSAMCFA-UTCJRWHESA-N. The full InChI is InChI=1S/C10H7N3O5/c14-8-2-1-5(4-7(8)13(17)18)3-6-9(15)12-10(16)11-6/h1-4,14H,(H2,11,12,15,16)/b6-3-.
What are the key properties of (5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 249.18 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 6858430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).