3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine

C10H16N2 — CID 154934284

IUPAC3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)C1CNC2C=CC=NC21
InChIInChI=1S/C10H16N2/c1-7(2)8-6-12-9-4-3-5-11-10(8)9/h3-5,7-10,12H,6H2,1-2H3
InChIKeyARFJPMZSIUCCJH-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.24
Rot. Bonds1

About 3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine

3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 154934284) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID154934284
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)C1CNC2C=CC=NC21
InChIInChI=1S/C10H16N2/c1-7(2)8-6-12-9-4-3-5-11-10(8)9/h3-5,7-10,12H,6H2,1-2H3
InChIKeyARFJPMZSIUCCJH-UHFFFAOYSA-N
XLogP1.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine (CID 154934284) is 3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine is CC(C)C1CNC2C=CC=NC21.
What is the InChIKey of 3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is ARFJPMZSIUCCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)8-6-12-9-4-3-5-11-10(8)9/h3-5,7-10,12H,6H2,1-2H3.
What are the key properties of 3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 164.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 154934284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).