4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid

C8H9N3O3 — CID 82400657

IUPAC4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid
SMILESCC(=O)N1CCc2[nH]c(C(=O)O)nc21
InChIInChI=1S/C8H9N3O3/c1-4(12)11-3-2-5-7(11)10-6(9-5)8(13)14/h2-3H2,1H3,(H,9,10)(H,13,14)
InChIKeyWIPWJPOCTLCQBK-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.02
Rot. Bonds1

About 4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid

4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid (PubChem CID 82400657) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid
PubChem CID82400657
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid
SMILESCC(=O)N1CCc2[nH]c(C(=O)O)nc21
InChIInChI=1S/C8H9N3O3/c1-4(12)11-3-2-5-7(11)10-6(9-5)8(13)14/h2-3H2,1H3,(H,9,10)(H,13,14)
InChIKeyWIPWJPOCTLCQBK-UHFFFAOYSA-N
XLogP0.02
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid?
The IUPAC name of 4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid (CID 82400657) is 4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid.
What is the SMILES notation for 4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid?
The canonical SMILES for 4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid is CC(=O)N1CCc2[nH]c(C(=O)O)nc21.
What is the InChIKey of 4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid?
The InChIKey is WIPWJPOCTLCQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-4(12)11-3-2-5-7(11)10-6(9-5)8(13)14/h2-3H2,1H3,(H,9,10)(H,13,14).
What are the key properties of 4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid?
4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid has a molecular weight of 195.18 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5,6-dihydro-1H-pyrrolo[2,3-d]imidazole-2-carboxylic acid is sourced from PubChem (CID 82400657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).