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

C9H18N2O — CID 58812332

IUPAC(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methanol
SMILESCN1CCN2C(CO)CCC2C1
InChIInChI=1S/C9H18N2O/c1-10-4-5-11-8(6-10)2-3-9(11)7-12/h8-9,12H,2-7H2,1H3
InChIKeyUDHITIZPZKXYEJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.24
Rot. Bonds1

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

(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methanol (PubChem CID 58812332) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methanol.

Molecular Properties

Compound Name(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methanol
PubChem CID58812332
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methanol
SMILESCN1CCN2C(CO)CCC2C1
InChIInChI=1S/C9H18N2O/c1-10-4-5-11-8(6-10)2-3-9(11)7-12/h8-9,12H,2-7H2,1H3
InChIKeyUDHITIZPZKXYEJ-UHFFFAOYSA-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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Related Compounds

(Octahydropyrrolo(1,2-a)piperazin-6-yl)methanol dihydrochloride
CID 137963947
(Octahydropyrrolo[1,2-a]pyrazin-6-yl)methanol
CID 59144400
[(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol
CID 165405780
4-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol
CID 11053751
(3S,5R,8S,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 16109763
(3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 25033910
4-(5-Propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)butan-1-ol
CID 85381833
(R)-1-((3R,5R,8aR)-5-propyloctahydroindolizin-3-yl)butan-1-ol
CID 91724347
(3S,5R,8S,8aS)-3-Butyl-5-propyloctahydroindolizin-8-ol
CID 91727969
(3S,5S,8S,8aS)-3-Butyl-5-propyloctahydroindolizin-8-ol
CID 91732224
(4-Piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol
CID 58584500
(+/-)-(6R,8aS)-octahydropyrrolo[1,2-a]pyrazin-6-ylmethanol
CID 58812227

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methanol?
The IUPAC name of (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methanol (CID 58812332) is (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methanol.
What is the SMILES notation for (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methanol?
The canonical SMILES for (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methanol is CN1CCN2C(CO)CCC2C1.
What is the InChIKey of (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methanol?
The InChIKey is UDHITIZPZKXYEJ-UHFFFAOYSA-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.
What are the key properties of (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methanol?
(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 (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methanol is sourced from PubChem (CID 58812332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).