3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole

C15H16N2 — CID 175942491

IUPAC3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole
SMILESCC(C)c1c[nH]c2ccc(-c3cc[nH]c3)cc12
InChIInChI=1S/C15H16N2/c1-10(2)14-9-17-15-4-3-11(7-13(14)15)12-5-6-16-8-12/h3-10,16-17H,1-2H3
InChIKeyQMOCTBWHWUMGHC-UHFFFAOYSA-N
MW224.31 g/mol
LogP4.29
Rot. Bonds2

About 3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole

3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole (PubChem CID 175942491) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole.

Molecular Properties

Compound Name3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole
PubChem CID175942491
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole
SMILESCC(C)c1c[nH]c2ccc(-c3cc[nH]c3)cc12
InChIInChI=1S/C15H16N2/c1-10(2)14-9-17-15-4-3-11(7-13(14)15)12-5-6-16-8-12/h3-10,16-17H,1-2H3
InChIKeyQMOCTBWHWUMGHC-UHFFFAOYSA-N
XLogP4.29
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole?
The IUPAC name of 3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole (CID 175942491) is 3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole.
What is the SMILES notation for 3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole?
The canonical SMILES for 3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole is CC(C)c1c[nH]c2ccc(-c3cc[nH]c3)cc12.
What is the InChIKey of 3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole?
The InChIKey is QMOCTBWHWUMGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-10(2)14-9-17-15-4-3-11(7-13(14)15)12-5-6-16-8-12/h3-10,16-17H,1-2H3.
What are the key properties of 3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole?
3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole has a molecular weight of 224.31 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole is sourced from PubChem (CID 175942491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).