8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one

C20H16N2O2 — CID 139341533

IUPAC8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2ccccc2Oc2ccccc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C20H16N2O2/c1-14-13-17(22-12-11-21-20(23)19(14)22)16-9-5-6-10-18(16)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,23)
InChIKeyOYZFKTAALLWWNM-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.40
Rot. Bonds3

About 8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one

8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 139341533) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID139341533
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2ccccc2Oc2ccccc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C20H16N2O2/c1-14-13-17(22-12-11-21-20(23)19(14)22)16-9-5-6-10-18(16)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,23)
InChIKeyOYZFKTAALLWWNM-UHFFFAOYSA-N
XLogP4.40
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 139341533) is 8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1cc(-c2ccccc2Oc2ccccc2)n2cc[nH]c(=O)c12.
What is the InChIKey of 8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is OYZFKTAALLWWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-14-13-17(22-12-11-21-20(23)19(14)22)16-9-5-6-10-18(16)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,23).
What are the key properties of 8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one?
8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 316.36 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 139341533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).