2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol

C9H16N2O — CID 45099547

IUPAC2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
SMILESOCCN1CCN2C=CCC2C1
InChIInChI=1S/C9H16N2O/c12-7-6-10-4-5-11-3-1-2-9(11)8-10/h1,3,9,12H,2,4-8H2
InChIKeyKUJBYLWDMBXXBC-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.12
Rot. Bonds2

About 2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol

2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol (PubChem CID 45099547) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
PubChem CID45099547
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
SMILESOCCN1CCN2C=CCC2C1
InChIInChI=1S/C9H16N2O/c12-7-6-10-4-5-11-3-1-2-9(11)8-10/h1,3,9,12H,2,4-8H2
InChIKeyKUJBYLWDMBXXBC-UHFFFAOYSA-N
XLogP-0.12
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol?
The IUPAC name of 2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol (CID 45099547) is 2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol.
What is the SMILES notation for 2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol?
The canonical SMILES for 2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol is OCCN1CCN2C=CCC2C1.
What is the InChIKey of 2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol?
The InChIKey is KUJBYLWDMBXXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-7-6-10-4-5-11-3-1-2-9(11)8-10/h1,3,9,12H,2,4-8H2.
What are the key properties of 2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol?
2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol has a molecular weight of 168.24 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol is sourced from PubChem (CID 45099547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).