3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one

C20H21N3O2 — CID 154691367

IUPAC3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one
SMILESCN(C)Cc1[nH]c2ccccc2c1C1(C)NC(=O)c2ccc(O)cc21
InChIInChI=1S/C20H21N3O2/c1-20(15-10-12(24)8-9-13(15)19(25)22-20)18-14-6-4-5-7-16(14)21-17(18)11-23(2)3/h4-10,21,24H,11H2,1-3H3,(H,22,25)
InChIKeyAXKJAHAKSNHSCO-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.94
Rot. Bonds3

About 3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one

3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one (PubChem CID 154691367) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one
PubChem CID154691367
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one
SMILESCN(C)Cc1[nH]c2ccccc2c1C1(C)NC(=O)c2ccc(O)cc21
InChIInChI=1S/C20H21N3O2/c1-20(15-10-12(24)8-9-13(15)19(25)22-20)18-14-6-4-5-7-16(14)21-17(18)11-23(2)3/h4-10,21,24H,11H2,1-3H3,(H,22,25)
InChIKeyAXKJAHAKSNHSCO-UHFFFAOYSA-N
XLogP2.94
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one?
The IUPAC name of 3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one (CID 154691367) is 3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one is CN(C)Cc1[nH]c2ccccc2c1C1(C)NC(=O)c2ccc(O)cc21.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one?
The InChIKey is AXKJAHAKSNHSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(15-10-12(24)8-9-13(15)19(25)22-20)18-14-6-4-5-7-16(14)21-17(18)11-23(2)3/h4-10,21,24H,11H2,1-3H3,(H,22,25).
What are the key properties of 3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one?
3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one has a molecular weight of 335.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one is sourced from PubChem (CID 154691367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).