6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole

C15H16N2 — CID 157463126

IUPAC6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole
SMILESCc1cccc(-n2ccc3ccn(C)c32)c1C
InChIInChI=1S/C15H16N2/c1-11-5-4-6-14(12(11)2)17-10-8-13-7-9-16(3)15(13)17/h4-10H,1-3H3
InChIKeyRPSNBDBBDMOJAX-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.59
Rot. Bonds1

About 6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole

6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole (PubChem CID 157463126) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole.

Molecular Properties

Compound Name6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole
PubChem CID157463126
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole
SMILESCc1cccc(-n2ccc3ccn(C)c32)c1C
InChIInChI=1S/C15H16N2/c1-11-5-4-6-14(12(11)2)17-10-8-13-7-9-16(3)15(13)17/h4-10H,1-3H3
InChIKeyRPSNBDBBDMOJAX-UHFFFAOYSA-N
XLogP3.59
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 62404849
1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde
CID 96602655
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione
CID 163351440
2,8-dimethylisoquinolin-1-one;ethane
CID 142953957
2-(2,3-dimethylphenyl)-1-methylpyrrole
CID 173078137
benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
1-(2,3-dimethylphenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
CID 30566101
4-(2,3-dimethylphenyl)piperazine-2,6-dione
CID 63787849
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 53123920
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanenitrile
CID 11107993

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole?
The IUPAC name of 6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole (CID 157463126) is 6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole.
What is the SMILES notation for 6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole?
The canonical SMILES for 6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole is Cc1cccc(-n2ccc3ccn(C)c32)c1C.
What is the InChIKey of 6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole?
The InChIKey is RPSNBDBBDMOJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-11-5-4-6-14(12(11)2)17-10-8-13-7-9-16(3)15(13)17/h4-10H,1-3H3.
What are the key properties of 6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole?
6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole has a molecular weight of 224.31 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole is sourced from PubChem (CID 157463126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).