5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one

C15H15ClN2O — CID 71728924

IUPAC5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one
SMILESCc1ccc(C)n1C1C(=O)N(C)c2ccc(Cl)cc21
InChIInChI=1S/C15H15ClN2O/c1-9-4-5-10(2)18(9)14-12-8-11(16)6-7-13(12)17(3)15(14)19/h4-8,14H,1-3H3
InChIKeyJZSNKUHIYBUNAQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.32
Rot. Bonds1

About 5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one

5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one (PubChem CID 71728924) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one
PubChem CID71728924
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one
SMILESCc1ccc(C)n1C1C(=O)N(C)c2ccc(Cl)cc21
InChIInChI=1S/C15H15ClN2O/c1-9-4-5-10(2)18(9)14-12-8-11(16)6-7-13(12)17(3)15(14)19/h4-8,14H,1-3H3
InChIKeyJZSNKUHIYBUNAQ-UHFFFAOYSA-N
XLogP3.32
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one (CID 71728924) is 5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one is Cc1ccc(C)n1C1C(=O)N(C)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one?
The InChIKey is JZSNKUHIYBUNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-9-4-5-10(2)18(9)14-12-8-11(16)6-7-13(12)17(3)15(14)19/h4-8,14H,1-3H3.
What are the key properties of 5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one?
5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one has a molecular weight of 274.75 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 71728924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).