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

C14H18N2O — CID 156821063

IUPAC3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol
SMILES[2H]C([2H])(c1c[nH]c2cccc(O)c12)[C@H]1CCCN1C([2H])([2H])[2H]
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/i1D3,8D2
InChIKeyXYRKPZYRLSWABB-PFAYAGKDSA-N
MW235.34 g/mol
LogP2.51
Rot. Bonds3

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

3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol (PubChem CID 156821063) has the molecular formula C14H18N2O and a molecular weight of 235.34 g/mol. Its IUPAC name is 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol.

Molecular Properties

Compound Name3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol
PubChem CID156821063
Molecular FormulaC14H18N2O
Molecular Weight235.34 g/mol
Exact Mass235.17
IUPAC Name3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol
SMILES[2H]C([2H])(c1c[nH]c2cccc(O)c12)[C@H]1CCCN1C([2H])([2H])[2H]
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/i1D3,8D2
InChIKeyXYRKPZYRLSWABB-PFAYAGKDSA-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 ≤ 500235.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Serotonin
CID 5202
Bufotenine
CID 10257
Psilocybin
CID 10624
N-Acetylserotonin
CID 903
Psilocin
CID 4980
5-Hydroxytryptophol
CID 9061
6-Hydroxyindole
CID 524508
Serotonin Hydrochloride
CID 160436
Arvelexin
CID 119406
Roxindole
CID 219050
N-Methylserotonin
CID 150885
5-Hydroxyindole
CID 16054

Frequently Asked Questions

What is the IUPAC name of 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol?
The IUPAC name of 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol (CID 156821063) is 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol.
What is the SMILES notation for 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol?
The canonical SMILES for 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol is [2H]C([2H])(c1c[nH]c2cccc(O)c12)[C@H]1CCCN1C([2H])([2H])[2H].
What is the InChIKey of 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol?
The InChIKey is XYRKPZYRLSWABB-PFAYAGKDSA-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/i1D3,8D2.
What are the key properties of 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol?
3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol has a molecular weight of 235.34 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-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indol-4-ol is sourced from PubChem (CID 156821063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).