5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione

C11H13N3O3 — CID 16556217

IUPAC5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(/N=C/c2ccco2)C1=O
InChIInChI=1S/C11H13N3O3/c1-3-11(2)9(15)14(10(16)13-11)12-7-8-5-4-6-17-8/h4-7H,3H2,1-2H3,(H,13,16)/b12-7+
InChIKeyQIORBOVXTXFMSC-KPKJPENVSA-N
MW235.24 g/mol
LogP1.33
Rot. Bonds3

About 5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione

5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 16556217) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID16556217
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(/N=C/c2ccco2)C1=O
InChIInChI=1S/C11H13N3O3/c1-3-11(2)9(15)14(10(16)13-11)12-7-8-5-4-6-17-8/h4-7H,3H2,1-2H3,(H,13,16)/b12-7+
InChIKeyQIORBOVXTXFMSC-KPKJPENVSA-N
XLogP1.33
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
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-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione (CID 16556217) is 5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(/N=C/c2ccco2)C1=O.
What is the InChIKey of 5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is QIORBOVXTXFMSC-KPKJPENVSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-3-11(2)9(15)14(10(16)13-11)12-7-8-5-4-6-17-8/h4-7H,3H2,1-2H3,(H,13,16)/b12-7+.
What are the key properties of 5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione?
5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione has a molecular weight of 235.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 16556217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).