2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C17H22N2O — CID 47010828

IUPAC2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOc1ccc(C)cc1CN1CCn2cccc2C1C
InChIInChI=1S/C17H22N2O/c1-13-6-7-17(20-3)15(11-13)12-19-10-9-18-8-4-5-16(18)14(19)2/h4-8,11,14H,9-10,12H2,1-3H3
InChIKeyMCBBKPFBPRIUOZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.38
Rot. Bonds3

About 2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 47010828) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID47010828
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOc1ccc(C)cc1CN1CCn2cccc2C1C
InChIInChI=1S/C17H22N2O/c1-13-6-7-17(20-3)15(11-13)12-19-10-9-18-8-4-5-16(18)14(19)2/h4-8,11,14H,9-10,12H2,1-3H3
InChIKeyMCBBKPFBPRIUOZ-UHFFFAOYSA-N
XLogP3.38
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-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 2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 47010828) is 2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is COc1ccc(C)cc1CN1CCn2cccc2C1C.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is MCBBKPFBPRIUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-6-7-17(20-3)15(11-13)12-19-10-9-18-8-4-5-16(18)14(19)2/h4-8,11,14H,9-10,12H2,1-3H3.
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 270.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 47010828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).