(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C11H22N2O — CID 138720188

IUPAC(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESCC(C)(C)N1CCN2CC(O)C[C@@H]2C1
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-5-4-12-8-10(14)6-9(12)7-13/h9-10,14H,4-8H2,1-3H3/t9-,10?/m1/s1
InChIKeyUIYLDZCUQQXNSG-YHMJZVADSA-N
MW198.31 g/mol
LogP0.54
Rot. Bonds

About (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 138720188) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID138720188
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESCC(C)(C)N1CCN2CC(O)C[C@@H]2C1
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-5-4-12-8-10(14)6-9(12)7-13/h9-10,14H,4-8H2,1-3H3/t9-,10?/m1/s1
InChIKeyUIYLDZCUQQXNSG-YHMJZVADSA-N
XLogP0.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol with MolForge

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Launch Full Analysis

Related Compounds

(7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 167155883
1-azabicyclo[3.1.0]hexan-3-ol
CID 178124587
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 23403360
2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
(3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol
CID 167292030
2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 123553604
9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 146322997
(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine
CID 166567380
(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497
(3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane
CID 161248171
(8R,9aS)-8-hydroxy-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxylic acid
CID 90217851
(3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol
CID 6556835

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 138720188) is (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is CC(C)(C)N1CCN2CC(O)C[C@@H]2C1.
What is the InChIKey of (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is UIYLDZCUQQXNSG-YHMJZVADSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)13-5-4-12-8-10(14)6-9(12)7-13/h9-10,14H,4-8H2,1-3H3/t9-,10?/m1/s1.
What are the key properties of (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 198.31 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 138720188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).