2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C16H23N3 — CID 80567993

IUPAC2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1ccc2c(c1)CC(CN1CCN3CCCC3C1)N2
InChIInChI=1S/C16H23N3/c1-2-6-16-13(4-1)10-14(17-16)11-18-8-9-19-7-3-5-15(19)12-18/h1-2,4,6,14-15,17H,3,5,7-12H2
InChIKeyCZVLRUSGAJTQQM-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.80
Rot. Bonds2

About 2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 80567993) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID80567993
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1ccc2c(c1)CC(CN1CCN3CCCC3C1)N2
InChIInChI=1S/C16H23N3/c1-2-6-16-13(4-1)10-14(17-16)11-18-8-9-19-7-3-5-15(19)12-18/h1-2,4,6,14-15,17H,3,5,7-12H2
InChIKeyCZVLRUSGAJTQQM-UHFFFAOYSA-N
XLogP1.80
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80567466
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943759
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929794
(3S)-3-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 121362848
4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine
CID 80567467
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
2-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63151684
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
2-(cyclopentylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038048
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 114490261
2-(pyridin-4-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79006299
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)phenol
CID 82980243

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 80567993) is 2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is c1ccc2c(c1)CC(CN1CCN3CCCC3C1)N2.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is CZVLRUSGAJTQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-6-16-13(4-1)10-14(17-16)11-18-8-9-19-7-3-5-15(19)12-18/h1-2,4,6,14-15,17H,3,5,7-12H2.
What are the key properties of 2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 257.38 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 80567993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).