(1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium

C13H13Cl2N2+ — CID 7446224

IUPAC(1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium
SMILESClc1ccc([C@H]2[NH2+]CCn3cccc32)cc1Cl
InChIInChI=1S/C13H12Cl2N2/c14-10-4-3-9(8-11(10)15)13-12-2-1-6-17(12)7-5-16-13/h1-4,6,8,13,16H,5,7H2/p+1/t13-/m1/s1
InChIKeyFUGIJWFKGCLRAJ-CYBMUJFWSA-O
MW268.17 g/mol
LogP2.46
Rot. Bonds1

About (1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium

(1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium (PubChem CID 7446224) has the molecular formula C13H13Cl2N2+ and a molecular weight of 268.17 g/mol. Its IUPAC name is (1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium.

Molecular Properties

Compound Name(1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium
PubChem CID7446224
Molecular FormulaC13H13Cl2N2+
Molecular Weight268.17 g/mol
Exact Mass267.05
IUPAC Name(1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium
SMILESClc1ccc([C@H]2[NH2+]CCn3cccc32)cc1Cl
InChIInChI=1S/C13H12Cl2N2/c14-10-4-3-9(8-11(10)15)13-12-2-1-6-17(12)7-5-16-13/h1-4,6,8,13,16H,5,7H2/p+1/t13-/m1/s1
InChIKeyFUGIJWFKGCLRAJ-CYBMUJFWSA-O
XLogP2.46
TPSA21.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium?
The IUPAC name of (1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium (CID 7446224) is (1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium.
What is the SMILES notation for (1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium?
The canonical SMILES for (1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium is Clc1ccc([C@H]2[NH2+]CCn3cccc32)cc1Cl.
What is the InChIKey of (1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium?
The InChIKey is FUGIJWFKGCLRAJ-CYBMUJFWSA-O. The full InChI is InChI=1S/C13H12Cl2N2/c14-10-4-3-9(8-11(10)15)13-12-2-1-6-17(12)7-5-16-13/h1-4,6,8,13,16H,5,7H2/p+1/t13-/m1/s1.
What are the key properties of (1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium?
(1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium has a molecular weight of 268.17 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium is sourced from PubChem (CID 7446224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).