3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C16H22N2 — CID 79939604

IUPAC3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC=CCN1CC2CCCN2CC1c1ccccc1
InChIInChI=1S/C16H22N2/c1-2-10-18-12-15-9-6-11-17(15)13-16(18)14-7-4-3-5-8-14/h2-5,7-8,15-16H,1,6,9-13H2
InChIKeyZKRYSAMCKIABAL-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.69
Rot. Bonds3

About 3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79939604) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79939604
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC=CCN1CC2CCCN2CC1c1ccccc1
InChIInChI=1S/C16H22N2/c1-2-10-18-12-15-9-6-11-17(15)13-16(18)14-7-4-3-5-8-14/h2-5,7-8,15-16H,1,6,9-13H2
InChIKeyZKRYSAMCKIABAL-UHFFFAOYSA-N
XLogP2.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine 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 3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79939604) is 3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is C=CCN1CC2CCCN2CC1c1ccccc1.
What is the InChIKey of 3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is ZKRYSAMCKIABAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-10-18-12-15-9-6-11-17(15)13-16(18)14-7-4-3-5-8-14/h2-5,7-8,15-16H,1,6,9-13H2.
What are the key properties of 3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 242.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79939604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).