(3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C13H13ClN2 — CID 134962236

IUPAC(3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESClc1ccc([C@@H]2Cn3cccc3CN2)cc1
InChIInChI=1S/C13H13ClN2/c14-11-5-3-10(4-6-11)13-9-16-7-1-2-12(16)8-15-13/h1-7,13,15H,8-9H2/t13-/m0/s1
InChIKeyVLOLZBIXTYGNAB-ZDUSSCGKSA-N
MW232.71 g/mol
LogP2.99
Rot. Bonds1

About (3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

(3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 134962236) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID134962236
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name(3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESClc1ccc([C@@H]2Cn3cccc3CN2)cc1
InChIInChI=1S/C13H13ClN2/c14-11-5-3-10(4-6-11)13-9-16-7-1-2-12(16)8-15-13/h1-7,13,15H,8-9H2/t13-/m0/s1
InChIKeyVLOLZBIXTYGNAB-ZDUSSCGKSA-N
XLogP2.99
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-phenylpiperazine
CID 68577139
(4S)-4-(4-chlorophenyl)azetidine-2-thione
CID 102306093
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine
CID 174246085
1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene
CID 118449685
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
6-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 175662454
1,3,5-tris(4-chlorophenyl)tetrazinane
CID 173003387
6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one
CID 22248788
1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
(1R,4S)-2-[(4-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 91873396

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 134962236) is (3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is Clc1ccc([C@@H]2Cn3cccc3CN2)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is VLOLZBIXTYGNAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-11-5-3-10(4-6-11)13-9-16-7-1-2-12(16)8-15-13/h1-7,13,15H,8-9H2/t13-/m0/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
(3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 232.71 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 134962236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).