(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione

C12H13N3O4 — CID 704755

IUPAC(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(N3CCOCC3)o2)N1
InChIInChI=1S/C12H13N3O4/c16-11-9(13-12(17)14-11)7-8-1-2-10(19-8)15-3-5-18-6-4-15/h1-2,7H,3-6H2,(H2,13,14,16,17)/b9-7+
InChIKeyHGERUGFZJKAXOY-VQHVLOKHSA-N
MW263.25 g/mol
LogP0.30
Rot. Bonds2

About (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 704755) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione
PubChem CID704755
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(N3CCOCC3)o2)N1
InChIInChI=1S/C12H13N3O4/c16-11-9(13-12(17)14-11)7-8-1-2-10(19-8)15-3-5-18-6-4-15/h1-2,7H,3-6H2,(H2,13,14,16,17)/b9-7+
InChIKeyHGERUGFZJKAXOY-VQHVLOKHSA-N
XLogP0.30
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-Chlorophenyl)-5-{[5-(4-morpholinyl)-2-furyl]methylene}-2,4-imidazolidinedione
CID 1782242
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1849004
(Z)-5-((5-morpholinofuran-2-yl)methylene)imidazolidine-2,4-dione
CID 1990024
(E)-5-((5-morpholinofuran-2-yl)methylene)-3-propylthiazolidine-2,4-dione
CID 5775469
5-[(5-Morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2273904
(5E)-5-[(5-methylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 895537
5-{[5-(4-Morpholinyl)-2-furyl]methylene}-3-phenyl-2,4-imidazolidinedione
CID 2176608
N-(furan-2-ylmethylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2697478
(5Z)-5-[(5-morpholin-4-yl-2-furyl)methylene]-3-propyl-1,3-thiazolidine-2,4-dione
CID 6511153
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2568882
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 4783081
N-(2-fluorophenyl)-2-[(5Z)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 2163222

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione (CID 704755) is (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(N3CCOCC3)o2)N1.
What is the InChIKey of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is HGERUGFZJKAXOY-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-11-9(13-12(17)14-11)7-8-1-2-10(19-8)15-3-5-18-6-4-15/h1-2,7H,3-6H2,(H2,13,14,16,17)/b9-7+.
What are the key properties of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 263.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 704755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).