3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole

C14H18N2 — CID 166106987

IUPAC3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole
SMILES[2H]C([2H])(Cc1c[nH]c2ccccc12)N1CCCC1
InChIInChI=1S/C14H18N2/c1-2-6-14-13(5-1)12(11-15-14)7-10-16-8-3-4-9-16/h1-2,5-6,11,15H,3-4,7-10H2/i10D2
InChIKeyCVTZCBLFHNGYDQ-KBMKNGFXSA-N
MW216.32 g/mol
LogP2.81
Rot. Bonds3

About 3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole

3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole (PubChem CID 166106987) has the molecular formula C14H18N2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole
PubChem CID166106987
Molecular FormulaC14H18N2
Molecular Weight216.32 g/mol
Exact Mass216.16
IUPAC Name3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole
SMILES[2H]C([2H])(Cc1c[nH]c2ccccc12)N1CCCC1
InChIInChI=1S/C14H18N2/c1-2-6-14-13(5-1)12(11-15-14)7-10-16-8-3-4-9-16/h1-2,5-6,11,15H,3-4,7-10H2/i10D2
InChIKeyCVTZCBLFHNGYDQ-KBMKNGFXSA-N
XLogP2.81
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol
CID 169286743
3-[2-(3,4-dihydro-2H-pyridin-1-yl)ethyl]-1H-indole
CID 14090369

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole?
The IUPAC name of 3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole (CID 166106987) is 3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole.
What is the SMILES notation for 3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole?
The canonical SMILES for 3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole is [2H]C([2H])(Cc1c[nH]c2ccccc12)N1CCCC1.
What is the InChIKey of 3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole?
The InChIKey is CVTZCBLFHNGYDQ-KBMKNGFXSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-6-14-13(5-1)12(11-15-14)7-10-16-8-3-4-9-16/h1-2,5-6,11,15H,3-4,7-10H2/i10D2.
What are the key properties of 3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole?
3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole has a molecular weight of 216.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole is sourced from PubChem (CID 166106987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).