6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid

C7H8N2O2 — CID 26967340

IUPAC6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid
SMILESO=C(O)c1cnc2n1CCC2
InChIInChI=1S/C7H8N2O2/c10-7(11)5-4-8-6-2-1-3-9(5)6/h4H,1-3H2,(H,10,11)
InChIKeyGDAOCGTXUVDBOC-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.53
Rot. Bonds1

About 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid

6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid (PubChem CID 26967340) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid
PubChem CID26967340
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid
SMILESO=C(O)c1cnc2n1CCC2
InChIInChI=1S/C7H8N2O2/c10-7(11)5-4-8-6-2-1-3-9(5)6/h4H,1-3H2,(H,10,11)
InChIKeyGDAOCGTXUVDBOC-UHFFFAOYSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid (CID 26967340) is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid is O=C(O)c1cnc2n1CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid?
The InChIKey is GDAOCGTXUVDBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-7(11)5-4-8-6-2-1-3-9(5)6/h4H,1-3H2,(H,10,11).
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid?
6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid is sourced from PubChem (CID 26967340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).