2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide

C8H11N3O3 — CID 3079591

IUPAC2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide
SMILESNC(=O)CN1C(=O)CN2C(=O)CCC12
InChIInChI=1S/C8H11N3O3/c9-5(12)3-10-6-1-2-7(13)11(6)4-8(10)14/h6H,1-4H2,(H2,9,12)
InChIKeyZZMLXWDFRYZBQA-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.74
Rot. Bonds2

About 2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide

2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide (PubChem CID 3079591) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide
PubChem CID3079591
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide
SMILESNC(=O)CN1C(=O)CN2C(=O)CCC12
InChIInChI=1S/C8H11N3O3/c9-5(12)3-10-6-1-2-7(13)11(6)4-8(10)14/h6H,1-4H2,(H2,9,12)
InChIKeyZZMLXWDFRYZBQA-UHFFFAOYSA-N
XLogP-1.74
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide?
The IUPAC name of 2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide (CID 3079591) is 2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide.
What is the SMILES notation for 2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide?
The canonical SMILES for 2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide is NC(=O)CN1C(=O)CN2C(=O)CCC12.
What is the InChIKey of 2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide?
The InChIKey is ZZMLXWDFRYZBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-5(12)3-10-6-1-2-7(13)11(6)4-8(10)14/h6H,1-4H2,(H2,9,12).
What are the key properties of 2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide?
2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide has a molecular weight of 197.19 g/mol, XLogP of -1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide is sourced from PubChem (CID 3079591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).