5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione

C11H20N2O2 — CID 20682775

IUPAC5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(CCCC(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-11(2,3)7-5-6-8-9(14)13(4)10(15)12-8/h8H,5-7H2,1-4H3,(H,12,15)
InChIKeyRDDGNRSMTCJSAJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.75
Rot. Bonds3

About 5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione

5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione (PubChem CID 20682775) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione
PubChem CID20682775
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(CCCC(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-11(2,3)7-5-6-8-9(14)13(4)10(15)12-8/h8H,5-7H2,1-4H3,(H,12,15)
InChIKeyRDDGNRSMTCJSAJ-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione (CID 20682775) is 5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione is CN1C(=O)NC(CCCC(C)(C)C)C1=O.
What is the InChIKey of 5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione?
The InChIKey is RDDGNRSMTCJSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)7-5-6-8-9(14)13(4)10(15)12-8/h8H,5-7H2,1-4H3,(H,12,15).
What are the key properties of 5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione?
5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione has a molecular weight of 212.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylpentyl)-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 20682775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).