3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole

C14H16N2 — CID 141342314

IUPAC3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole
SMILESCN1CCC=C1Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2/c1-16-8-4-5-12(16)9-11-10-15-14-7-3-2-6-13(11)14/h2-3,5-7,10,15H,4,8-9H2,1H3
InChIKeyRFYZPIREXCRIJU-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.93
Rot. Bonds2

About 3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole

3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole (PubChem CID 141342314) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole
PubChem CID141342314
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole
SMILESCN1CCC=C1Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2/c1-16-8-4-5-12(16)9-11-10-15-14-7-3-2-6-13(11)14/h2-3,5-7,10,15H,4,8-9H2,1H3
InChIKeyRFYZPIREXCRIJU-UHFFFAOYSA-N
XLogP2.93
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-(1H-indol-3-ylmethyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 86272985
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrobromide
CID 76851298
3-ethyl-1H-indole;methanamine
CID 142222050
3-[2-(3,4-dihydro-2H-pyridin-1-yl)ethyl]-1H-indole
CID 14090369
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
CID 135044640
CID 135044640
3-(1H-indol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 138378454
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole?
The IUPAC name of 3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole (CID 141342314) is 3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole is CN1CCC=C1Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole?
The InChIKey is RFYZPIREXCRIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-16-8-4-5-12(16)9-11-10-15-14-7-3-2-6-13(11)14/h2-3,5-7,10,15H,4,8-9H2,1H3.
What are the key properties of 3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole?
3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole has a molecular weight of 212.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole is sourced from PubChem (CID 141342314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).