3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one

C20H20N2O2 — CID 5178593

IUPAC3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one
SMILESCCCN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C20H20N2O2/c1-3-12-22-17-11-7-5-9-15(17)20(24,19(22)23)18-13(2)21-16-10-6-4-8-14(16)18/h4-11,21,24H,3,12H2,1-2H3
InChIKeyNGJKYDCMESZUJS-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.47
Rot. Bonds3

About 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one

3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one (PubChem CID 5178593) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one
PubChem CID5178593
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one
SMILESCCCN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C20H20N2O2/c1-3-12-22-17-11-7-5-9-15(17)20(24,19(22)23)18-13(2)21-16-10-6-4-8-14(16)18/h4-11,21,24H,3,12H2,1-2H3
InChIKeyNGJKYDCMESZUJS-UHFFFAOYSA-N
XLogP3.47
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one?
The IUPAC name of 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one (CID 5178593) is 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one is CCCN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one?
The InChIKey is NGJKYDCMESZUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-12-22-17-11-7-5-9-15(17)20(24,19(22)23)18-13(2)21-16-10-6-4-8-14(16)18/h4-11,21,24H,3,12H2,1-2H3.
What are the key properties of 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one?
3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one has a molecular weight of 320.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propylindol-2-one is sourced from PubChem (CID 5178593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).