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

C15H20N2 — CID 163470216

IUPAC3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole
SMILES[2H]C([2H])(c1c[nH]c2cccc(C)c12)[C@H]1CCCN1C([2H])([2H])[2H]
InChIInChI=1S/C15H20N2/c1-11-5-3-7-14-15(11)12(10-16-14)9-13-6-4-8-17(13)2/h3,5,7,10,13,16H,4,6,8-9H2,1-2H3/t13-/m1/s1/i2D3,9D2
InChIKeyBVYCZARMDZRLMA-WJKPNBINSA-N
MW233.37 g/mol
LogP3.11
Rot. Bonds3

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

3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole (PubChem CID 163470216) has the molecular formula C15H20N2 and a molecular weight of 233.37 g/mol. Its IUPAC name is 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole.

Molecular Properties

Compound Name3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole
PubChem CID163470216
Molecular FormulaC15H20N2
Molecular Weight233.37 g/mol
Exact Mass233.19
IUPAC Name3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole
SMILES[2H]C([2H])(c1c[nH]c2cccc(C)c12)[C@H]1CCCN1C([2H])([2H])[2H]
InChIInChI=1S/C15H20N2/c1-11-5-3-7-14-15(11)12(10-16-14)9-13-6-4-8-17(13)2/h3,5,7,10,13,16H,4,6,8-9H2,1-2H3/t13-/m1/s1/i2D3,9D2
InChIKeyBVYCZARMDZRLMA-WJKPNBINSA-N
XLogP3.11
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole?
The IUPAC name of 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole (CID 163470216) is 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole.
What is the SMILES notation for 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole?
The canonical SMILES for 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole is [2H]C([2H])(c1c[nH]c2cccc(C)c12)[C@H]1CCCN1C([2H])([2H])[2H].
What is the InChIKey of 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole?
The InChIKey is BVYCZARMDZRLMA-WJKPNBINSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-5-3-7-14-15(11)12(10-16-14)9-13-6-4-8-17(13)2/h3,5,7,10,13,16H,4,6,8-9H2,1-2H3/t13-/m1/s1/i2D3,9D2.
What are the key properties of 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole?
3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole has a molecular weight of 233.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole is sourced from PubChem (CID 163470216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).