3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate

C10H16N2O4 — CID 174274583

IUPAC3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate
SMILESCCOC(C)=O.O=C1CN2C(=O)CCC2N1
InChIInChI=1S/C6H8N2O2.C4H8O2/c9-5-3-8-4(7-5)1-2-6(8)10;1-3-6-4(2)5/h4H,1-3H2,(H,7,9);3H2,1-2H3
InChIKeyRGYKIXCFWHNYHV-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.37
Rot. Bonds1

About 3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate

3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate (PubChem CID 174274583) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate.

Molecular Properties

Compound Name3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate
PubChem CID174274583
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate
SMILESCCOC(C)=O.O=C1CN2C(=O)CCC2N1
InChIInChI=1S/C6H8N2O2.C4H8O2/c9-5-3-8-4(7-5)1-2-6(8)10;1-3-6-4(2)5/h4H,1-3H2,(H,7,9);3H2,1-2H3
InChIKeyRGYKIXCFWHNYHV-UHFFFAOYSA-N
XLogP-0.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate?
The IUPAC name of 3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate (CID 174274583) is 3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate.
What is the SMILES notation for 3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate?
The canonical SMILES for 3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate is CCOC(C)=O.O=C1CN2C(=O)CCC2N1.
What is the InChIKey of 3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate?
The InChIKey is RGYKIXCFWHNYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.C4H8O2/c9-5-3-8-4(7-5)1-2-6(8)10;1-3-6-4(2)5/h4H,1-3H2,(H,7,9);3H2,1-2H3.
What are the key properties of 3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate?
3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate has a molecular weight of 228.25 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione;ethyl acetate is sourced from PubChem (CID 174274583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).