2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate

C20H21N2O2- — CID 134864274

IUPAC2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate
SMILESCC1(O)C(CC2(C)Nc3ccccc3C2(C)[O-])=Nc2ccccc21
InChIInChI=1S/C20H21N2O2/c1-18(20(3,24)14-9-5-7-11-16(14)22-18)12-17-19(2,23)13-8-4-6-10-15(13)21-17/h4-11,22-23H,12H2,1-3H3/q-1
InChIKeyUNBWRNYTFJOAFW-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.83
Rot. Bonds2

About 2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate

2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate (PubChem CID 134864274) has the molecular formula C20H21N2O2- and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate.

Molecular Properties

Compound Name2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate
PubChem CID134864274
Molecular FormulaC20H21N2O2-
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate
SMILESCC1(O)C(CC2(C)Nc3ccccc3C2(C)[O-])=Nc2ccccc21
InChIInChI=1S/C20H21N2O2/c1-18(20(3,24)14-9-5-7-11-16(14)22-18)12-17-19(2,23)13-8-4-6-10-15(13)21-17/h4-11,22-23H,12H2,1-3H3/q-1
InChIKeyUNBWRNYTFJOAFW-UHFFFAOYSA-N
XLogP2.83
TPSA67.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate?
The IUPAC name of 2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate (CID 134864274) is 2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate.
What is the SMILES notation for 2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate?
The canonical SMILES for 2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate is CC1(O)C(CC2(C)Nc3ccccc3C2(C)[O-])=Nc2ccccc21.
What is the InChIKey of 2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate?
The InChIKey is UNBWRNYTFJOAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N2O2/c1-18(20(3,24)14-9-5-7-11-16(14)22-18)12-17-19(2,23)13-8-4-6-10-15(13)21-17/h4-11,22-23H,12H2,1-3H3/q-1.
What are the key properties of 2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate?
2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate has a molecular weight of 321.40 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate is sourced from PubChem (CID 134864274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).