1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione

C10H8N4O4 — CID 71373871

IUPAC1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(N=Cc2ccccc2[N+](=O)[O-])C(=O)N1
InChIInChI=1S/C10H8N4O4/c15-9-6-13(10(16)12-9)11-5-7-3-1-2-4-8(7)14(17)18/h1-5H,6H2,(H,12,15,16)
InChIKeyFULJCJZKZXOFQZ-UHFFFAOYSA-N
MW248.20 g/mol
LogP0.48
Rot. Bonds3

About 1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione

1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 71373871) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione
PubChem CID71373871
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC Name1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(N=Cc2ccccc2[N+](=O)[O-])C(=O)N1
InChIInChI=1S/C10H8N4O4/c15-9-6-13(10(16)12-9)11-5-7-3-1-2-4-8(7)14(17)18/h1-5H,6H2,(H,12,15,16)
InChIKeyFULJCJZKZXOFQZ-UHFFFAOYSA-N
XLogP0.48
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)
CID 77176029
(1R,2S,6S,7R)-4-[(Z)-(2-nitrophenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98139920
1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione
CID 18327296
(E)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(2-nitrophenyl)methanimine
CID 6861753
(3Z,5E)-3,5-bis[(2-nitrophenyl)methylidene]piperidin-4-one
CID 89154568
(5S)-5-methyl-3-[(Z)-(2-nitrophenyl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349708
(3Z,6Z)-3,6-bis[(2-nitrophenyl)methylidene]piperazine-2,5-dione
CID 6533590
N-methyl-N-[(2-nitrophenyl)methylideneamino]methanamine
CID 78408891
N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine
CID 794265
(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine
CID 5351051
1-[(E)-[(Z)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]imidazolidine-2,4-dione
CID 6870645
(E)-1-(2-nitrophenyl)-N-(2-prop-2-ynylsulfanyl-4,5-dihydroimidazol-1-yl)methanimine;hydrobromide
CID 12512165

Frequently Asked Questions

What is the IUPAC name of 1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione (CID 71373871) is 1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione is O=C1CN(N=Cc2ccccc2[N+](=O)[O-])C(=O)N1.
What is the InChIKey of 1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is FULJCJZKZXOFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4/c15-9-6-13(10(16)12-9)11-5-7-3-1-2-4-8(7)14(17)18/h1-5H,6H2,(H,12,15,16).
What are the key properties of 1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione?
1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 248.20 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 71373871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).