2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid

C7H8N2O4 — CID 3079593

IUPAC2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid
SMILESO=C1CN2C(=O)CCC2(C(=O)O)N1
InChIInChI=1S/C7H8N2O4/c10-4-3-9-5(11)1-2-7(9,8-4)6(12)13/h1-3H2,(H,8,10)(H,12,13)
InChIKeyIOUXCPKBPUCKMJ-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.48
Rot. Bonds1

About 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid

2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid (PubChem CID 3079593) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid.

Molecular Properties

Compound Name2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid
PubChem CID3079593
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid
SMILESO=C1CN2C(=O)CCC2(C(=O)O)N1
InChIInChI=1S/C7H8N2O4/c10-4-3-9-5(11)1-2-7(9,8-4)6(12)13/h1-3H2,(H,8,10)(H,12,13)
InChIKeyIOUXCPKBPUCKMJ-UHFFFAOYSA-N
XLogP-1.48
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid?
The IUPAC name of 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid (CID 3079593) is 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid.
What is the SMILES notation for 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid?
The canonical SMILES for 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid is O=C1CN2C(=O)CCC2(C(=O)O)N1.
What is the InChIKey of 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid?
The InChIKey is IOUXCPKBPUCKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c10-4-3-9-5(11)1-2-7(9,8-4)6(12)13/h1-3H2,(H,8,10)(H,12,13).
What are the key properties of 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid?
2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of -1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid is sourced from PubChem (CID 3079593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).