[(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol

C9H18N2O — CID 58812349

IUPAC[(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol
SMILESCN1CCN2[C@H](CO)CC[C@H]2C1
InChIInChI=1S/C9H18N2O/c1-10-4-5-11-8(6-10)2-3-9(11)7-12/h8-9,12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyUDHITIZPZKXYEJ-IUCAKERBSA-N
MW170.26 g/mol
LogP-0.24
Rot. Bonds1

About [(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol

[(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol (PubChem CID 58812349) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is [(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol.

Molecular Properties

Compound Name[(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol
PubChem CID58812349
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name[(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol
SMILESCN1CCN2[C@H](CO)CC[C@H]2C1
InChIInChI=1S/C9H18N2O/c1-10-4-5-11-8(6-10)2-3-9(11)7-12/h8-9,12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyUDHITIZPZKXYEJ-IUCAKERBSA-N
XLogP-0.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol?
The IUPAC name of [(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol (CID 58812349) is [(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol.
What is the SMILES notation for [(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol?
The canonical SMILES for [(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol is CN1CCN2[C@H](CO)CC[C@H]2C1.
What is the InChIKey of [(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol?
The InChIKey is UDHITIZPZKXYEJ-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-4-5-11-8(6-10)2-3-9(11)7-12/h8-9,12H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of [(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol?
[(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol has a molecular weight of 170.26 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol is sourced from PubChem (CID 58812349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).