2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile

C7H9N3O2 — CID 54593057

IUPAC2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile
SMILESCC1(C)C(=O)NC(=O)N1CC#N
InChIInChI=1S/C7H9N3O2/c1-7(2)5(11)9-6(12)10(7)4-3-8/h4H2,1-2H3,(H,9,11,12)
InChIKeyZPPPTNFEUBIOKO-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.16
Rot. Bonds1

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

2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile (PubChem CID 54593057) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile
PubChem CID54593057
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile
SMILESCC1(C)C(=O)NC(=O)N1CC#N
InChIInChI=1S/C7H9N3O2/c1-7(2)5(11)9-6(12)10(7)4-3-8/h4H2,1-2H3,(H,9,11,12)
InChIKeyZPPPTNFEUBIOKO-UHFFFAOYSA-N
XLogP-0.16
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile?
The IUPAC name of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile (CID 54593057) is 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile?
The canonical SMILES for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile is CC1(C)C(=O)NC(=O)N1CC#N.
What is the InChIKey of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile?
The InChIKey is ZPPPTNFEUBIOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-7(2)5(11)9-6(12)10(7)4-3-8/h4H2,1-2H3,(H,9,11,12).
What are the key properties of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile?
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile has a molecular weight of 167.17 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile is sourced from PubChem (CID 54593057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).