3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole

C15H20N2O — CID 164912311

IUPAC3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
SMILES[2H]C([2H])(c1c[nH]c2ccc(OC)cc12)[C@H]1CCCN1C([2H])([2H])[2H]
InChIInChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1/i1D3,8D2
InChIKeyMKEGUJPBCIXABO-HQTWPKTISA-N
MW249.37 g/mol
LogP2.81
Rot. Bonds4

About 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole

3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole (PubChem CID 164912311) has the molecular formula C15H20N2O and a molecular weight of 249.37 g/mol. Its IUPAC name is 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
PubChem CID164912311
Molecular FormulaC15H20N2O
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
SMILES[2H]C([2H])(c1c[nH]c2ccc(OC)cc12)[C@H]1CCCN1C([2H])([2H])[2H]
InChIInChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1/i1D3,8D2
InChIKeyMKEGUJPBCIXABO-HQTWPKTISA-N
XLogP2.81
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 176854789
3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854871
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854734
2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091739
CID 177026586
CID 177026586
3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole
CID 163470216
5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole
CID 178091609
1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110855888
5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 177026458
5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole
CID 176854720
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417

Frequently Asked Questions

What is the IUPAC name of 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole (CID 164912311) is 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole is [2H]C([2H])(c1c[nH]c2ccc(OC)cc12)[C@H]1CCCN1C([2H])([2H])[2H].
What is the InChIKey of 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The InChIKey is MKEGUJPBCIXABO-HQTWPKTISA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1/i1D3,8D2.
What are the key properties of 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole has a molecular weight of 249.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 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]-5-methoxy-1H-indole is sourced from PubChem (CID 164912311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).