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

C14H15N3O6 — CID 70414385

IUPAC(5E)-5-[[5-(2-ethoxyethoxy)-2-nitrophenyl]methylidene]imidazolidine-2,4-dione
SMILESCCOCCOc1ccc([N+](=O)[O-])c(/C=C2/NC(=O)NC2=O)c1
InChIInChI=1S/C14H15N3O6/c1-2-22-5-6-23-10-3-4-12(17(20)21)9(7-10)8-11-13(18)16-14(19)15-11/h3-4,7-8H,2,5-6H2,1H3,(H2,15,16,18,19)/b11-8+
InChIKeyLTYMLJJPOAJMTB-DHZHZOJOSA-N
MW321.29 g/mol
LogP1.19
Rot. Bonds7

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

(5E)-5-[[5-(2-ethoxyethoxy)-2-nitrophenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 70414385) has the molecular formula C14H15N3O6 and a molecular weight of 321.29 g/mol. Its IUPAC name is (5E)-5-[[5-(2-ethoxyethoxy)-2-nitrophenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-(2-ethoxyethoxy)-2-nitrophenyl]methylidene]imidazolidine-2,4-dione
PubChem CID70414385
Molecular FormulaC14H15N3O6
Molecular Weight321.29 g/mol
Exact Mass321.10
IUPAC Name(5E)-5-[[5-(2-ethoxyethoxy)-2-nitrophenyl]methylidene]imidazolidine-2,4-dione
SMILESCCOCCOc1ccc([N+](=O)[O-])c(/C=C2/NC(=O)NC2=O)c1
InChIInChI=1S/C14H15N3O6/c1-2-22-5-6-23-10-3-4-12(17(20)21)9(7-10)8-11-13(18)16-14(19)15-11/h3-4,7-8H,2,5-6H2,1H3,(H2,15,16,18,19)/b11-8+
InChIKeyLTYMLJJPOAJMTB-DHZHZOJOSA-N
XLogP1.19
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

ethyl 4-[3-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-4-nitrophenoxy]butanoate
CID 70414235
ethyl 5-[3-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-4-nitrophenoxy]pentanoate
CID 70415098
5-[3-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-4-nitrophenoxy]pentanoic acid
CID 70414611
1-cyclohexyl-3-[3-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-4-nitrophenoxy]propyl]urea
CID 19773210
ethyl 4-[3-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-4-nitrophenyl]piperazine-1-carboxylate
CID 67907027
(5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 11833559
(5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 11253625
5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2848836
5-(2-chloroethoxy)-2-nitrobenzaldehyde
CID 14177143
5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde
CID 11708505
(5E)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
CID 896566
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene
CID 118410599

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(2-ethoxyethoxy)-2-nitrophenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-(2-ethoxyethoxy)-2-nitrophenyl]methylidene]imidazolidine-2,4-dione (CID 70414385) is (5E)-5-[[5-(2-ethoxyethoxy)-2-nitrophenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-(2-ethoxyethoxy)-2-nitrophenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-(2-ethoxyethoxy)-2-nitrophenyl]methylidene]imidazolidine-2,4-dione is CCOCCOc1ccc([N+](=O)[O-])c(/C=C2/NC(=O)NC2=O)c1.
What is the InChIKey of (5E)-5-[[5-(2-ethoxyethoxy)-2-nitrophenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is LTYMLJJPOAJMTB-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H15N3O6/c1-2-22-5-6-23-10-3-4-12(17(20)21)9(7-10)8-11-13(18)16-14(19)15-11/h3-4,7-8H,2,5-6H2,1H3,(H2,15,16,18,19)/b11-8+.
What are the key properties of (5E)-5-[[5-(2-ethoxyethoxy)-2-nitrophenyl]methylidene]imidazolidine-2,4-dione?
(5E)-5-[[5-(2-ethoxyethoxy)-2-nitrophenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 321.29 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(2-ethoxyethoxy)-2-nitrophenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 70414385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).