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

C12H22N2O2 — CID 123461465

IUPAC3-(2,2-dimethylpentyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCCCC(C)(C)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-6-7-11(2,3)8-14-9(15)12(4,5)13-10(14)16/h6-8H2,1-5H3,(H,13,16)
InChIKeyZIPWVCGZUWJURN-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.14
Rot. Bonds4

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

3-(2,2-dimethylpentyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 123461465) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpentyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,2-dimethylpentyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID123461465
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(2,2-dimethylpentyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCCCC(C)(C)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-6-7-11(2,3)8-14-9(15)12(4,5)13-10(14)16/h6-8H2,1-5H3,(H,13,16)
InChIKeyZIPWVCGZUWJURN-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.14
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 3-(2,2-dimethylpentyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(2,2-dimethylpentyl)-5,5-dimethylimidazolidine-2,4-dione (CID 123461465) is 3-(2,2-dimethylpentyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2,2-dimethylpentyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2,2-dimethylpentyl)-5,5-dimethylimidazolidine-2,4-dione is CCCC(C)(C)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-(2,2-dimethylpentyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ZIPWVCGZUWJURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-6-7-11(2,3)8-14-9(15)12(4,5)13-10(14)16/h6-8H2,1-5H3,(H,13,16).
What are the key properties of 3-(2,2-dimethylpentyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(2,2-dimethylpentyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 226.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpentyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 123461465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).