2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile

C11H9N3O2 — CID 107089486

IUPAC2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(N2C(=O)CNC2=O)cc1
InChIInChI=1S/C11H9N3O2/c12-6-5-8-1-3-9(4-2-8)14-10(15)7-13-11(14)16/h1-4H,5,7H2,(H,13,16)
InChIKeyQJGINRJBYULJCM-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.81
Rot. Bonds2

About 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile

2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile (PubChem CID 107089486) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile
PubChem CID107089486
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(N2C(=O)CNC2=O)cc1
InChIInChI=1S/C11H9N3O2/c12-6-5-8-1-3-9(4-2-8)14-10(15)7-13-11(14)16/h1-4H,5,7H2,(H,13,16)
InChIKeyQJGINRJBYULJCM-UHFFFAOYSA-N
XLogP0.81
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.81
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 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile (CID 107089486) is 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile is N#CCc1ccc(N2C(=O)CNC2=O)cc1.
What is the InChIKey of 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile?
The InChIKey is QJGINRJBYULJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-6-5-8-1-3-9(4-2-8)14-10(15)7-13-11(14)16/h1-4H,5,7H2,(H,13,16).
What are the key properties of 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile?
2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile has a molecular weight of 215.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]acetonitrile is sourced from PubChem (CID 107089486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).