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

C13H15N2+ — CID 6939225

IUPAC(1R)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium
SMILESc1ccc([C@H]2[NH2+]CCn3cccc32)cc1
InChIInChI=1S/C13H14N2/c1-2-5-11(6-3-1)13-12-7-4-9-15(12)10-8-14-13/h1-7,9,13-14H,8,10H2/p+1/t13-/m1/s1
InChIKeyOJWIBJCTTSRXTB-CYBMUJFWSA-O
MW199.28 g/mol
LogP1.15
Rot. Bonds1

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

(1R)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium (PubChem CID 6939225) has the molecular formula C13H15N2+ and a molecular weight of 199.28 g/mol. Its IUPAC name is (1R)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium.

Molecular Properties

Compound Name(1R)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium
PubChem CID6939225
Molecular FormulaC13H15N2+
Molecular Weight199.28 g/mol
Exact Mass199.12
IUPAC Name(1R)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium
SMILESc1ccc([C@H]2[NH2+]CCn3cccc32)cc1
InChIInChI=1S/C13H14N2/c1-2-5-11(6-3-1)13-12-7-4-9-15(12)10-8-14-13/h1-7,9,13-14H,8,10H2/p+1/t13-/m1/s1
InChIKeyOJWIBJCTTSRXTB-CYBMUJFWSA-O
XLogP1.15
TPSA21.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium
CID 7446224
(1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium
CID 2049383
(1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium
CID 7014101
(1R)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium
CID 7014103
(1S)-N-methyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 7136142
(1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 2049356
N-(4-iodophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 4094739
(3-fluorophenyl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 24859698
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
7-phenyl-5,6,7,8-tetrahydroindolizine
CID 135070970
1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid
CID 71298527
1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 25215501

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium?
The IUPAC name of (1R)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium (CID 6939225) is (1R)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium.
What is the SMILES notation for (1R)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium?
The canonical SMILES for (1R)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium is c1ccc([C@H]2[NH2+]CCn3cccc32)cc1.
What is the InChIKey of (1R)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium?
The InChIKey is OJWIBJCTTSRXTB-CYBMUJFWSA-O. The full InChI is InChI=1S/C13H14N2/c1-2-5-11(6-3-1)13-12-7-4-9-15(12)10-8-14-13/h1-7,9,13-14H,8,10H2/p+1/t13-/m1/s1.
What are the key properties of (1R)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium?
(1R)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium has a molecular weight of 199.28 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium is sourced from PubChem (CID 6939225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).