3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol

C14H18N2O — CID 156821101

IUPAC3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c[nH]c2cccc(O)c12
InChIInChI=1S/C14H18N2O/c1-16-7-3-4-11(16)8-10-9-15-12-5-2-6-13(17)14(10)12/h2,5-6,9,11,15,17H,3-4,7-8H2,1H3/t11-/m1/s1/i1D3
InChIKeyXYRKPZYRLSWABB-KMKPOHAJSA-N
MW233.33 g/mol
LogP2.51
Rot. Bonds3

About 3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol

3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol (PubChem CID 156821101) has the molecular formula C14H18N2O and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol.

Molecular Properties

Compound Name3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol
PubChem CID156821101
Molecular FormulaC14H18N2O
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c[nH]c2cccc(O)c12
InChIInChI=1S/C14H18N2O/c1-16-7-3-4-11(16)8-10-9-15-12-5-2-6-13(17)14(10)12/h2,5-6,9,11,15,17H,3-4,7-8H2,1H3/t11-/m1/s1/i1D3
InChIKeyXYRKPZYRLSWABB-KMKPOHAJSA-N
XLogP2.51
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol?
The IUPAC name of 3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol (CID 156821101) is 3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol.
What is the SMILES notation for 3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol?
The canonical SMILES for 3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol is [2H]C([2H])([2H])N1CCC[C@@H]1Cc1c[nH]c2cccc(O)c12.
What is the InChIKey of 3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol?
The InChIKey is XYRKPZYRLSWABB-KMKPOHAJSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-7-3-4-11(16)8-10-9-15-12-5-2-6-13(17)14(10)12/h2,5-6,9,11,15,17H,3-4,7-8H2,1H3/t11-/m1/s1/i1D3.
What are the key properties of 3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol?
3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol has a molecular weight of 233.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol is sourced from PubChem (CID 156821101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).