N-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide

C9H12N4O3 — CID 43213629

IUPACN-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C9H12N4O3/c1-12(4-2-3-10)8(15)6-13-7(14)5-11-9(13)16/h2,4-6H2,1H3,(H,11,16)
InChIKeyZGMRFAOPMJDQEQ-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.09
Rot. Bonds4

About N-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide

N-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide (PubChem CID 43213629) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
PubChem CID43213629
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C9H12N4O3/c1-12(4-2-3-10)8(15)6-13-7(14)5-11-9(13)16/h2,4-6H2,1H3,(H,11,16)
InChIKeyZGMRFAOPMJDQEQ-UHFFFAOYSA-N
XLogP-1.09
TPSA93.51 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 ≤ 5-1.09
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 N-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide (CID 43213629) is N-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide is CN(CCC#N)C(=O)CN1C(=O)CNC1=O.
What is the InChIKey of N-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?
The InChIKey is ZGMRFAOPMJDQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-12(4-2-3-10)8(15)6-13-7(14)5-11-9(13)16/h2,4-6H2,1H3,(H,11,16).
What are the key properties of N-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?
N-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide has a molecular weight of 224.22 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 43213629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).