1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one

C20H15NO2 — CID 42639188

IUPAC1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one
SMILESCn1ccc2c(-c3ccccc3)c(-c3ccccc3)oc(=O)c21
InChIInChI=1S/C20H15NO2/c1-21-13-12-16-17(14-8-4-2-5-9-14)19(23-20(22)18(16)21)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyIBIBWWDLFVHWAE-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.47
Rot. Bonds2

About 1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one

1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one (PubChem CID 42639188) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one.

Molecular Properties

Compound Name1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one
PubChem CID42639188
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one
SMILESCn1ccc2c(-c3ccccc3)c(-c3ccccc3)oc(=O)c21
InChIInChI=1S/C20H15NO2/c1-21-13-12-16-17(14-8-4-2-5-9-14)19(23-20(22)18(16)21)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyIBIBWWDLFVHWAE-UHFFFAOYSA-N
XLogP4.47
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 633887
7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran
CID 58239715
2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one?
The IUPAC name of 1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one (CID 42639188) is 1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one.
What is the SMILES notation for 1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one?
The canonical SMILES for 1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one is Cn1ccc2c(-c3ccccc3)c(-c3ccccc3)oc(=O)c21.
What is the InChIKey of 1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one?
The InChIKey is IBIBWWDLFVHWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-21-13-12-16-17(14-8-4-2-5-9-14)19(23-20(22)18(16)21)15-10-6-3-7-11-15/h2-13H,1H3.
What are the key properties of 1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one?
1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one has a molecular weight of 301.35 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one is sourced from PubChem (CID 42639188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).