3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

C15H14N2O2 — CID 143881274

IUPAC3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCOc1ccc(-c2cn3cc(C)cc3c(=O)[nH]2)cc1
InChIInChI=1S/C15H14N2O2/c1-10-7-14-15(18)16-13(9-17(14)8-10)11-3-5-12(19-2)6-4-11/h3-9H,1-2H3,(H,16,18)
InChIKeyAITLQTDSEUBTJU-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.61
Rot. Bonds2

About 3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 143881274) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID143881274
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCOc1ccc(-c2cn3cc(C)cc3c(=O)[nH]2)cc1
InChIInChI=1S/C15H14N2O2/c1-10-7-14-15(18)16-13(9-17(14)8-10)11-3-5-12(19-2)6-4-11/h3-9H,1-2H3,(H,16,18)
InChIKeyAITLQTDSEUBTJU-UHFFFAOYSA-N
XLogP2.61
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 143881274) is 3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is COc1ccc(-c2cn3cc(C)cc3c(=O)[nH]2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is AITLQTDSEUBTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-7-14-15(18)16-13(9-17(14)8-10)11-3-5-12(19-2)6-4-11/h3-9H,1-2H3,(H,16,18).
What are the key properties of 3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 254.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 143881274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).