5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium

C10H15N2+ — CID 90395186

IUPAC5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium
SMILESCC(C)[n+]1ccc2c(c1)CNC2
InChIInChI=1S/C10H15N2/c1-8(2)12-4-3-9-5-11-6-10(9)7-12/h3-4,7-8,11H,5-6H2,1-2H3/q+1
InChIKeyBNHRONXNGYZASO-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.16
Rot. Bonds1

About 5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium

5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium (PubChem CID 90395186) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is 5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium.

Molecular Properties

Compound Name5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium
PubChem CID90395186
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium
SMILESCC(C)[n+]1ccc2c(c1)CNC2
InChIInChI=1S/C10H15N2/c1-8(2)12-4-3-9-5-11-6-10(9)7-12/h3-4,7-8,11H,5-6H2,1-2H3/q+1
InChIKeyBNHRONXNGYZASO-UHFFFAOYSA-N
XLogP1.16
TPSA15.91 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium?
The IUPAC name of 5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium (CID 90395186) is 5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium.
What is the SMILES notation for 5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium?
The canonical SMILES for 5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium is CC(C)[n+]1ccc2c(c1)CNC2.
What is the InChIKey of 5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium?
The InChIKey is BNHRONXNGYZASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2/c1-8(2)12-4-3-9-5-11-6-10(9)7-12/h3-4,7-8,11H,5-6H2,1-2H3/q+1.
What are the key properties of 5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium?
5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium has a molecular weight of 163.24 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium is sourced from PubChem (CID 90395186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).