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

C16H20N2 — CID 47010830

IUPAC1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1ccc(CN2CCn3cccc3C2C)cc1
InChIInChI=1S/C16H20N2/c1-13-5-7-15(8-6-13)12-18-11-10-17-9-3-4-16(17)14(18)2/h3-9,14H,10-12H2,1-2H3
InChIKeyJWDCGPXLTUDDMP-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.37
Rot. Bonds2

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

1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 47010830) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID47010830
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1ccc(CN2CCn3cccc3C2C)cc1
InChIInChI=1S/C16H20N2/c1-13-5-7-15(8-6-13)12-18-11-10-17-9-3-4-16(17)14(18)2/h3-9,14H,10-12H2,1-2H3
InChIKeyJWDCGPXLTUDDMP-UHFFFAOYSA-N
XLogP3.37
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 47010830) is 1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is Cc1ccc(CN2CCn3cccc3C2C)cc1.
What is the InChIKey of 1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is JWDCGPXLTUDDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-5-7-15(8-6-13)12-18-11-10-17-9-3-4-16(17)14(18)2/h3-9,14H,10-12H2,1-2H3.
What are the key properties of 1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 240.35 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 47010830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).