3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C17H20N2S — CID 79923019

IUPAC3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1ccc(C2CN3CCCC3CN2c2ccsc2)cc1
InChIInChI=1S/C17H20N2S/c1-2-5-14(6-3-1)17-12-18-9-4-7-15(18)11-19(17)16-8-10-20-13-16/h1-3,5-6,8,10,13,15,17H,4,7,9,11-12H2
InChIKeyUWRFGSPWUWNCCB-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.77
Rot. Bonds2

About 3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79923019) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79923019
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1ccc(C2CN3CCCC3CN2c2ccsc2)cc1
InChIInChI=1S/C17H20N2S/c1-2-5-14(6-3-1)17-12-18-9-4-7-15(18)11-19(17)16-8-10-20-13-16/h1-3,5-6,8,10,13,15,17H,4,7,9,11-12H2
InChIKeyUWRFGSPWUWNCCB-UHFFFAOYSA-N
XLogP3.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939604
2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde
CID 174910477
N-benzyl-1-thiophen-3-ylpiperidin-3-amine
CID 83993766
2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926702
2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923270
(7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
CID 141032267
5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine
CID 66353730
1,2-diphenylpyrrolidine;hydrochloride
CID 23512926
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069
(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451070
5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79923019) is 3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is c1ccc(C2CN3CCCC3CN2c2ccsc2)cc1.
What is the InChIKey of 3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is UWRFGSPWUWNCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-2-5-14(6-3-1)17-12-18-9-4-7-15(18)11-19(17)16-8-10-20-13-16/h1-3,5-6,8,10,13,15,17H,4,7,9,11-12H2.
What are the key properties of 3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 284.43 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79923019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).