3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione

C11H20N2O2 — CID 146543179

IUPAC3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCCC(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-11(2,3)6-5-7-13-9(14)8-12(4)10(13)15/h5-8H2,1-4H3
InChIKeyZDPLAVBGMGVPEM-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.71
Rot. Bonds3

About 3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione

3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione (PubChem CID 146543179) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione
PubChem CID146543179
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCCC(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-11(2,3)6-5-7-13-9(14)8-12(4)10(13)15/h5-8H2,1-4H3
InChIKeyZDPLAVBGMGVPEM-UHFFFAOYSA-N
XLogP1.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
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 3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione (CID 146543179) is 3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CCCC(C)(C)C)C1=O.
What is the InChIKey of 3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione?
The InChIKey is ZDPLAVBGMGVPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)6-5-7-13-9(14)8-12(4)10(13)15/h5-8H2,1-4H3.
What are the key properties of 3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione?
3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione has a molecular weight of 212.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpentyl)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 146543179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).