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

C8H11N3O3 — CID 92846644

IUPAC2-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)CN2C(=O)CC[C@@H]12
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)/t6-/m0/s1
InChIKeyZZMLXWDFRYZBQA-LURJTMIESA-N
MW197.19 g/mol
LogP-1.74
Rot. Bonds2

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

2-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide (PubChem CID 92846644) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide
PubChem CID92846644
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)CN2C(=O)CC[C@@H]12
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)/t6-/m0/s1
InChIKeyZZMLXWDFRYZBQA-LURJTMIESA-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

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

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

Launch Full Analysis

Related Compounds

1-(2-amino-2-oxoethyl)-5-oxopyrrolidine-2-carboxamide
CID 3657675
1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
CID 11264715
2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetamide
CID 14182974
2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide
CID 14182975
2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide
CID 14182987
2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetamide
CID 141266040
2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid
CID 45082281
2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide
CID 22839052
2-(4-oxopiperidin-1-yl)acetamide
CID 24696767
2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide
CID 82508801
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]acetamide
CID 3069835

Frequently Asked Questions

What is the IUPAC name of 2-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide?
The IUPAC name of 2-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide (CID 92846644) is 2-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide is NC(=O)CN1C(=O)CN2C(=O)CC[C@@H]12.
What is the InChIKey of 2-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide?
The InChIKey is ZZMLXWDFRYZBQA-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of 2-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide?
2-[(7aR)-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-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide is sourced from PubChem (CID 92846644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).