1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione

C10H12N2O3 — CID 79776757

IUPAC1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCc1ccc(C(C)N2CC(=O)NC2=O)o1
InChIInChI=1S/C10H12N2O3/c1-6-3-4-8(15-6)7(2)12-5-9(13)11-10(12)14/h3-4,7H,5H2,1-2H3,(H,11,13,14)
InChIKeyFCWATMHLTJWKOU-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.20
Rot. Bonds2

About 1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione

1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 79776757) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione
PubChem CID79776757
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCc1ccc(C(C)N2CC(=O)NC2=O)o1
InChIInChI=1S/C10H12N2O3/c1-6-3-4-8(15-6)7(2)12-5-9(13)11-10(12)14/h3-4,7H,5H2,1-2H3,(H,11,13,14)
InChIKeyFCWATMHLTJWKOU-UHFFFAOYSA-N
XLogP1.20
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione (CID 79776757) is 1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione is Cc1ccc(C(C)N2CC(=O)NC2=O)o1.
What is the InChIKey of 1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is FCWATMHLTJWKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-3-4-8(15-6)7(2)12-5-9(13)11-10(12)14/h3-4,7H,5H2,1-2H3,(H,11,13,14).
What are the key properties of 1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione?
1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 208.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 79776757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).