2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol

C8H16N2O — CID 45122045

IUPAC2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol
SMILESOCC12CCCN1CCNC2
InChIInChI=1S/C8H16N2O/c11-7-8-2-1-4-10(8)5-3-9-6-8/h9,11H,1-7H2
InChIKeyVHNVKVILFAFJMN-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.58
Rot. Bonds1

About 2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol

2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol (PubChem CID 45122045) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol.

Molecular Properties

Compound Name2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol
PubChem CID45122045
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol
SMILESOCC12CCCN1CCNC2
InChIInChI=1S/C8H16N2O/c11-7-8-2-1-4-10(8)5-3-9-6-8/h9,11H,1-7H2
InChIKeyVHNVKVILFAFJMN-UHFFFAOYSA-N
XLogP-0.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol?
The IUPAC name of 2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol (CID 45122045) is 2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol.
What is the SMILES notation for 2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol?
The canonical SMILES for 2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol is OCC12CCCN1CCNC2.
What is the InChIKey of 2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol?
The InChIKey is VHNVKVILFAFJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c11-7-8-2-1-4-10(8)5-3-9-6-8/h9,11H,1-7H2.
What are the key properties of 2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol?
2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol has a molecular weight of 156.23 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol is sourced from PubChem (CID 45122045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).