1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione

C8H7N3O3 — CID 67668523

IUPAC1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione
SMILESNN1C(=O)NC(=O)C1=Cc1ccco1
InChIInChI=1S/C8H7N3O3/c9-11-6(7(12)10-8(11)13)4-5-2-1-3-14-5/h1-4H,9H2,(H,10,12,13)
InChIKeyUQBHEAOSSODROG-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.05
Rot. Bonds1

About 1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione

1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 67668523) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione
PubChem CID67668523
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione
SMILESNN1C(=O)NC(=O)C1=Cc1ccco1
InChIInChI=1S/C8H7N3O3/c9-11-6(7(12)10-8(11)13)4-5-2-1-3-14-5/h1-4H,9H2,(H,10,12,13)
InChIKeyUQBHEAOSSODROG-UHFFFAOYSA-N
XLogP0.05
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of 1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione (CID 67668523) is 1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for 1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for 1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione is NN1C(=O)NC(=O)C1=Cc1ccco1.
What is the InChIKey of 1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is UQBHEAOSSODROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c9-11-6(7(12)10-8(11)13)4-5-2-1-3-14-5/h1-4H,9H2,(H,10,12,13).
What are the key properties of 1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione?
1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione has a molecular weight of 193.16 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 67668523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).