1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium

C13H19N2+ — CID 129223790

IUPAC1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium
SMILESCC(C)n1ccc2c[n+](C(C)C)ccc21
InChIInChI=1S/C13H19N2/c1-10(2)14-7-6-13-12(9-14)5-8-15(13)11(3)4/h5-11H,1-4H3/q+1
InChIKeyQKBQYAVEIOTLAY-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.09
Rot. Bonds2

About 1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium

1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium (PubChem CID 129223790) has the molecular formula C13H19N2+ and a molecular weight of 203.31 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium.

Molecular Properties

Compound Name1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium
PubChem CID129223790
Molecular FormulaC13H19N2+
Molecular Weight203.31 g/mol
Exact Mass203.15
IUPAC Name1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium
SMILESCC(C)n1ccc2c[n+](C(C)C)ccc21
InChIInChI=1S/C13H19N2/c1-10(2)14-7-6-13-12(9-14)5-8-15(13)11(3)4/h5-11H,1-4H3/q+1
InChIKeyQKBQYAVEIOTLAY-UHFFFAOYSA-N
XLogP3.09
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-iodo-1-propan-2-ylindole
CID 135396038
5,6-difluoro-1-propan-2-ylindole
CID 90162254
5-butan-2-yl-1-propan-2-ylindole
CID 135200251
5-ethynyl-1-propan-2-ylindole
CID 155919851
5,6-dimethoxy-1-propan-2-ylindole
CID 134890484
6-(difluoromethyl)-1-propan-2-ylindole
CID 90162024
1-propan-2-ylpyridin-1-ium-3,4-diol
CID 58374051
1-(1-propan-2-ylindol-7-yl)ethanol
CID 115115001
4-bromo-6-methyl-1-propan-2-ylindole
CID 71274234
ethane;5-nitro-1-propan-2-ylindole
CID 143287721
2-(1-propan-2-ylpyrrolo[3,2-c]pyridin-5-ium-5-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 176809797
2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol
CID 115114963

Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium?
The IUPAC name of 1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium (CID 129223790) is 1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium.
What is the SMILES notation for 1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium?
The canonical SMILES for 1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium is CC(C)n1ccc2c[n+](C(C)C)ccc21.
What is the InChIKey of 1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium?
The InChIKey is QKBQYAVEIOTLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2/c1-10(2)14-7-6-13-12(9-14)5-8-15(13)11(3)4/h5-11H,1-4H3/q+1.
What are the key properties of 1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium?
1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium has a molecular weight of 203.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium is sourced from PubChem (CID 129223790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).