(5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione

C11H14N2O3 — CID 95692133

IUPAC(5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione
SMILESCc1cc([C@]2(C)NC(=O)N(C)C2=O)c(C)o1
InChIInChI=1S/C11H14N2O3/c1-6-5-8(7(2)16-6)11(3)9(14)13(4)10(15)12-11/h5H,1-4H3,(H,12,15)/t11-/m0/s1
InChIKeyYEOSQBXTCNMQTM-NSHDSACASA-N
MW222.24 g/mol
LogP1.29
Rot. Bonds1

About (5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione

(5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione (PubChem CID 95692133) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione
PubChem CID95692133
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione
SMILESCc1cc([C@]2(C)NC(=O)N(C)C2=O)c(C)o1
InChIInChI=1S/C11H14N2O3/c1-6-5-8(7(2)16-6)11(3)9(14)13(4)10(15)12-11/h5H,1-4H3,(H,12,15)/t11-/m0/s1
InChIKeyYEOSQBXTCNMQTM-NSHDSACASA-N
XLogP1.29
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.29
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 (5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione (CID 95692133) is (5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione is Cc1cc([C@]2(C)NC(=O)N(C)C2=O)c(C)o1.
What is the InChIKey of (5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione?
The InChIKey is YEOSQBXTCNMQTM-NSHDSACASA-N. The full InChI is InChI=1S/C11H14N2O3/c1-6-5-8(7(2)16-6)11(3)9(14)13(4)10(15)12-11/h5H,1-4H3,(H,12,15)/t11-/m0/s1.
What are the key properties of (5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione?
(5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione has a molecular weight of 222.24 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 95692133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).