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

C7H9ClN2O2 — CID 122156684

IUPAC6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2n1CCC2
InChIInChI=1S/C7H8N2O2.ClH/c10-7(11)5-4-8-6-2-1-3-9(5)6;/h4H,1-3H2,(H,10,11);1H
InChIKeyANIGOSGPEKJCQJ-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.95
Rot. Bonds1

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

6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid;hydrochloride (PubChem CID 122156684) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid;hydrochloride
PubChem CID122156684
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2n1CCC2
InChIInChI=1S/C7H8N2O2.ClH/c10-7(11)5-4-8-6-2-1-3-9(5)6;/h4H,1-3H2,(H,10,11);1H
InChIKeyANIGOSGPEKJCQJ-UHFFFAOYSA-N
XLogP0.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.95
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;hydrochloride?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid;hydrochloride (CID 122156684) is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnc2n1CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid;hydrochloride?
The InChIKey is ANIGOSGPEKJCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.ClH/c10-7(11)5-4-8-6-2-1-3-9(5)6;/h4H,1-3H2,(H,10,11);1H.
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid;hydrochloride?
6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid;hydrochloride has a molecular weight of 188.61 g/mol, XLogP of 0.95, 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;hydrochloride is sourced from PubChem (CID 122156684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).