5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile

C10H15N3O2 — CID 65254881

IUPAC5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN1CC(=O)NC1=O
InChIInChI=1S/C10H15N3O2/c1-10(2,7-11)4-3-5-13-6-8(14)12-9(13)15/h3-6H2,1-2H3,(H,12,14,15)
InChIKeyXFYIEWHAFZUNSU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.87
Rot. Bonds4

About 5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile

5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile (PubChem CID 65254881) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile
PubChem CID65254881
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN1CC(=O)NC1=O
InChIInChI=1S/C10H15N3O2/c1-10(2,7-11)4-3-5-13-6-8(14)12-9(13)15/h3-6H2,1-2H3,(H,12,14,15)
InChIKeyXFYIEWHAFZUNSU-UHFFFAOYSA-N
XLogP0.87
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.87
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 5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile (CID 65254881) is 5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCN1CC(=O)NC1=O.
What is the InChIKey of 5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile?
The InChIKey is XFYIEWHAFZUNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(2,7-11)4-3-5-13-6-8(14)12-9(13)15/h3-6H2,1-2H3,(H,12,14,15).
What are the key properties of 5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile?
5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile has a molecular weight of 209.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65254881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).