3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile

C8H11N3O2 — CID 21404292

IUPAC3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile
SMILESCC1(C)C(=O)NC(=O)N1CCC#N
InChIInChI=1S/C8H11N3O2/c1-8(2)6(12)10-7(13)11(8)5-3-4-9/h3,5H2,1-2H3,(H,10,12,13)
InChIKeyICVSDMJSORDVHE-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.23
Rot. Bonds2

About 3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile

3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile (PubChem CID 21404292) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile
PubChem CID21404292
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile
SMILESCC1(C)C(=O)NC(=O)N1CCC#N
InChIInChI=1S/C8H11N3O2/c1-8(2)6(12)10-7(13)11(8)5-3-4-9/h3,5H2,1-2H3,(H,10,12,13)
InChIKeyICVSDMJSORDVHE-UHFFFAOYSA-N
XLogP0.23
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.23
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 3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile?
The IUPAC name of 3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile (CID 21404292) is 3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile?
The canonical SMILES for 3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile is CC1(C)C(=O)NC(=O)N1CCC#N.
What is the InChIKey of 3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile?
The InChIKey is ICVSDMJSORDVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-8(2)6(12)10-7(13)11(8)5-3-4-9/h3,5H2,1-2H3,(H,10,12,13).
What are the key properties of 3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile?
3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile has a molecular weight of 181.19 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile is sourced from PubChem (CID 21404292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).