2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone

C15H19BrN2O — CID 79943573

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone
SMILESO=C(CN1CCN2CCCC2C1)c1ccccc1Br
InChIInChI=1S/C15H19BrN2O/c16-14-6-2-1-5-13(14)15(19)11-17-8-9-18-7-3-4-12(18)10-17/h1-2,5-6,12H,3-4,7-11H2
InChIKeyVPUVBNATDCRKAX-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.41
Rot. Bonds3

About 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone (PubChem CID 79943573) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone
PubChem CID79943573
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone
SMILESO=C(CN1CCN2CCCC2C1)c1ccccc1Br
InChIInChI=1S/C15H19BrN2O/c16-14-6-2-1-5-13(14)15(19)11-17-8-9-18-7-3-4-12(18)10-17/h1-2,5-6,12H,3-4,7-11H2
InChIKeyVPUVBNATDCRKAX-UHFFFAOYSA-N
XLogP2.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-fluorophenyl)ethanone
CID 79943016
1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170584
1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60680607
1-(2-bromophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219429
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone
CID 78950336
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(5-bromothiophen-2-yl)ethanone
CID 79942862
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 79943101
1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133026
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3,4-difluorophenyl)ethanone
CID 79943652
1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170628
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 22194026
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 90483831

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone (CID 79943573) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone is O=C(CN1CCN2CCCC2C1)c1ccccc1Br.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone?
The InChIKey is VPUVBNATDCRKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-14-6-2-1-5-13(14)15(19)11-17-8-9-18-7-3-4-12(18)10-17/h1-2,5-6,12H,3-4,7-11H2.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone has a molecular weight of 323.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone is sourced from PubChem (CID 79943573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).