5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione

C12H13N3O3 — CID 143989147

IUPAC5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione
SMILESC=Cc1cc(C2NC(=O)NC2=O)oc1C/C=N/C
InChIInChI=1S/C12H13N3O3/c1-3-7-6-9(18-8(7)4-5-13-2)10-11(16)15-12(17)14-10/h3,5-6,10H,1,4H2,2H3,(H2,14,15,16,17)/b13-5+
InChIKeyWMHIANYTNRXFFS-WLRTZDKTSA-N
MW247.25 g/mol
LogP1.05
Rot. Bonds4

About 5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione

5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione (PubChem CID 143989147) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione
PubChem CID143989147
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione
SMILESC=Cc1cc(C2NC(=O)NC2=O)oc1C/C=N/C
InChIInChI=1S/C12H13N3O3/c1-3-7-6-9(18-8(7)4-5-13-2)10-11(16)15-12(17)14-10/h3,5-6,10H,1,4H2,2H3,(H2,14,15,16,17)/b13-5+
InChIKeyWMHIANYTNRXFFS-WLRTZDKTSA-N
XLogP1.05
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione (CID 143989147) is 5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione is C=Cc1cc(C2NC(=O)NC2=O)oc1C/C=N/C.
What is the InChIKey of 5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione?
The InChIKey is WMHIANYTNRXFFS-WLRTZDKTSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-3-7-6-9(18-8(7)4-5-13-2)10-11(16)15-12(17)14-10/h3,5-6,10H,1,4H2,2H3,(H2,14,15,16,17)/b13-5+.
What are the key properties of 5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione?
5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione has a molecular weight of 247.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 143989147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).