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

C17H21N3O — CID 78950336

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN1CCN2CCCC2C1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H21N3O/c21-17(15-10-18-16-6-2-1-5-14(15)16)12-19-8-9-20-7-3-4-13(20)11-19/h1-2,5-6,10,13,18H,3-4,7-9,11-12H2
InChIKeyXEMYBIQLDPYXID-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.13
Rot. Bonds3

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

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone (PubChem CID 78950336) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone
PubChem CID78950336
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN1CCN2CCCC2C1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H21N3O/c21-17(15-10-18-16-6-2-1-5-14(15)16)12-19-8-9-20-7-3-4-13(20)11-19/h1-2,5-6,10,13,18H,3-4,7-9,11-12H2
InChIKeyXEMYBIQLDPYXID-UHFFFAOYSA-N
XLogP2.13
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 43226754
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-fluorophenyl)ethanone
CID 79943016
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone
CID 79943573
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 115648322
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 17428236
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64695940
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane
CID 90983574

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-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone (CID 78950336) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone is O=C(CN1CCN2CCCC2C1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone?
The InChIKey is XEMYBIQLDPYXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(15-10-18-16-6-2-1-5-14(15)16)12-19-8-9-20-7-3-4-13(20)11-19/h1-2,5-6,10,13,18H,3-4,7-9,11-12H2.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone has a molecular weight of 283.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 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-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 78950336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).