2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C9H12N4O3 — CID 14393483

IUPAC2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1C(=O)N(CC(N)=O)C(=O)N1CCC#N
InChIInChI=1S/C9H12N4O3/c1-6-8(15)13(5-7(11)14)9(16)12(6)4-2-3-10/h6H,2,4-5H2,1H3,(H2,11,14)
InChIKeyWBWGNEPBIUKOMD-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.96
Rot. Bonds4

About 2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 14393483) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID14393483
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1C(=O)N(CC(N)=O)C(=O)N1CCC#N
InChIInChI=1S/C9H12N4O3/c1-6-8(15)13(5-7(11)14)9(16)12(6)4-2-3-10/h6H,2,4-5H2,1H3,(H2,11,14)
InChIKeyWBWGNEPBIUKOMD-UHFFFAOYSA-N
XLogP-0.96
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 14393483) is 2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC1C(=O)N(CC(N)=O)C(=O)N1CCC#N.
What is the InChIKey of 2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is WBWGNEPBIUKOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-6-8(15)13(5-7(11)14)9(16)12(6)4-2-3-10/h6H,2,4-5H2,1H3,(H2,11,14).
What are the key properties of 2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 224.22 g/mol, XLogP of -0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 14393483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).