6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C14H16N2O — CID 82391201

IUPAC6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCOc1ccccc1-c1ccc2n1CCNC2
InChIInChI=1S/C14H16N2O/c1-17-14-5-3-2-4-12(14)13-7-6-11-10-15-8-9-16(11)13/h2-7,15H,8-10H2,1H3
InChIKeyMZJFVTXYBDWQMA-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.27
Rot. Bonds2

About 6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 82391201) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID82391201
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCOc1ccccc1-c1ccc2n1CCNC2
InChIInChI=1S/C14H16N2O/c1-17-14-5-3-2-4-12(14)13-7-6-11-10-15-8-9-16(11)13/h2-7,15H,8-10H2,1H3
InChIKeyMZJFVTXYBDWQMA-UHFFFAOYSA-N
XLogP2.27
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 82391201) is 6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is COc1ccccc1-c1ccc2n1CCNC2.
What is the InChIKey of 6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is MZJFVTXYBDWQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-14-5-3-2-4-12(14)13-7-6-11-10-15-8-9-16(11)13/h2-7,15H,8-10H2,1H3.
What are the key properties of 6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 228.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 82391201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).