1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole

C14H16N2 — CID 15015376

IUPAC1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole
SMILESCC(C1=CCCN1)n1ccc2ccccc21
InChIInChI=1S/C14H16N2/c1-11(13-6-4-9-15-13)16-10-8-12-5-2-3-7-14(12)16/h2-3,5-8,10-11,15H,4,9H2,1H3
InChIKeyHRTGHLJXROJPPU-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.08
Rot. Bonds2

About 1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole

1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole (PubChem CID 15015376) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole
PubChem CID15015376
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole
SMILESCC(C1=CCCN1)n1ccc2ccccc21
InChIInChI=1S/C14H16N2/c1-11(13-6-4-9-15-13)16-10-8-12-5-2-3-7-14(12)16/h2-3,5-8,10-11,15H,4,9H2,1H3
InChIKeyHRTGHLJXROJPPU-UHFFFAOYSA-N
XLogP3.08
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole?
The IUPAC name of 1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole (CID 15015376) is 1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole is CC(C1=CCCN1)n1ccc2ccccc21.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole?
The InChIKey is HRTGHLJXROJPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11(13-6-4-9-15-13)16-10-8-12-5-2-3-7-14(12)16/h2-3,5-8,10-11,15H,4,9H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole?
1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole has a molecular weight of 212.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole is sourced from PubChem (CID 15015376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).