3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol

C13H16N2O — CID 163393959

IUPAC3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol
SMILES[2H]C1([2H])CC(c2c[nH]c3cccc(O)c23)C([2H])([2H])N1C
InChIInChI=1S/C13H16N2O/c1-15-6-5-9(8-15)10-7-14-11-3-2-4-12(16)13(10)11/h2-4,7,9,14,16H,5-6,8H2,1H3/i6D2,8D2
InChIKeyDZKMCQNELDTDGP-GBIJOAKOSA-N
MW220.31 g/mol
LogP2.29
Rot. Bonds1

About 3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol

3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol (PubChem CID 163393959) has the molecular formula C13H16N2O and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol.

Molecular Properties

Compound Name3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol
PubChem CID163393959
Molecular FormulaC13H16N2O
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol
SMILES[2H]C1([2H])CC(c2c[nH]c3cccc(O)c23)C([2H])([2H])N1C
InChIInChI=1S/C13H16N2O/c1-15-6-5-9(8-15)10-7-14-11-3-2-4-12(16)13(10)11/h2-4,7,9,14,16H,5-6,8H2,1H3/i6D2,8D2
InChIKeyDZKMCQNELDTDGP-GBIJOAKOSA-N
XLogP2.29
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol?
The IUPAC name of 3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol (CID 163393959) is 3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol.
What is the SMILES notation for 3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol?
The canonical SMILES for 3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol is [2H]C1([2H])CC(c2c[nH]c3cccc(O)c23)C([2H])([2H])N1C.
What is the InChIKey of 3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol?
The InChIKey is DZKMCQNELDTDGP-GBIJOAKOSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-6-5-9(8-15)10-7-14-11-3-2-4-12(16)13(10)11/h2-4,7,9,14,16H,5-6,8H2,1H3/i6D2,8D2.
What are the key properties of 3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol?
3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol has a molecular weight of 220.31 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5,5-tetradeuterio-1-methylpyrrolidin-3-yl)-1H-indol-4-ol is sourced from PubChem (CID 163393959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).