4-(2,5-dioxoimidazolidin-4-yl)butanenitrile

C7H9N3O2 — CID 12803243

IUPAC4-(2,5-dioxoimidazolidin-4-yl)butanenitrile
SMILESN#CCCCC1NC(=O)NC1=O
InChIInChI=1S/C7H9N3O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-3H2,(H2,9,10,11,12)
InChIKeyDBKOXARNAKRIDK-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.11
Rot. Bonds3

About 4-(2,5-dioxoimidazolidin-4-yl)butanenitrile

4-(2,5-dioxoimidazolidin-4-yl)butanenitrile (PubChem CID 12803243) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-(2,5-dioxoimidazolidin-4-yl)butanenitrile.

Molecular Properties

Compound Name4-(2,5-dioxoimidazolidin-4-yl)butanenitrile
PubChem CID12803243
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4-(2,5-dioxoimidazolidin-4-yl)butanenitrile
SMILESN#CCCCC1NC(=O)NC1=O
InChIInChI=1S/C7H9N3O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-3H2,(H2,9,10,11,12)
InChIKeyDBKOXARNAKRIDK-UHFFFAOYSA-N
XLogP-0.11
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxoimidazolidin-4-yl)butanenitrile?
The IUPAC name of 4-(2,5-dioxoimidazolidin-4-yl)butanenitrile (CID 12803243) is 4-(2,5-dioxoimidazolidin-4-yl)butanenitrile.
What is the SMILES notation for 4-(2,5-dioxoimidazolidin-4-yl)butanenitrile?
The canonical SMILES for 4-(2,5-dioxoimidazolidin-4-yl)butanenitrile is N#CCCCC1NC(=O)NC1=O.
What is the InChIKey of 4-(2,5-dioxoimidazolidin-4-yl)butanenitrile?
The InChIKey is DBKOXARNAKRIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-3H2,(H2,9,10,11,12).
What are the key properties of 4-(2,5-dioxoimidazolidin-4-yl)butanenitrile?
4-(2,5-dioxoimidazolidin-4-yl)butanenitrile has a molecular weight of 167.17 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxoimidazolidin-4-yl)butanenitrile is sourced from PubChem (CID 12803243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).