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

C7H8N2O2 — CID 75355620

IUPAC6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid
SMILESO=C(O)C1Cc2nccn2C1
InChIInChI=1S/C7H8N2O2/c10-7(11)5-3-6-8-1-2-9(6)4-5/h1-2,5H,3-4H2,(H,10,11)
InChIKeyLVDIWOAWCUVNEP-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.14
Rot. Bonds1

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

6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid (PubChem CID 75355620) 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-6-carboxylic acid.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid
PubChem CID75355620
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid
SMILESO=C(O)C1Cc2nccn2C1
InChIInChI=1S/C7H8N2O2/c10-7(11)5-3-6-8-1-2-9(6)4-5/h1-2,5H,3-4H2,(H,10,11)
InChIKeyLVDIWOAWCUVNEP-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
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-6-carboxylic acid?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid (CID 75355620) is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid is O=C(O)C1Cc2nccn2C1.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid?
The InChIKey is LVDIWOAWCUVNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-7(11)5-3-6-8-1-2-9(6)4-5/h1-2,5H,3-4H2,(H,10,11).
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid?
6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.14, 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-6-carboxylic acid is sourced from PubChem (CID 75355620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).