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

C10H14N2 — CID 123415626

IUPAC2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine
SMILESCC(C)C1=NC2C=CC=NC2C1
InChIInChI=1S/C10H14N2/c1-7(2)9-6-10-8(12-9)4-3-5-11-10/h3-5,7-8,10H,6H2,1-2H3
InChIKeyTVVAEUJKLDJYBV-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.86
Rot. Bonds1

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

2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine (PubChem CID 123415626) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine
PubChem CID123415626
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine
SMILESCC(C)C1=NC2C=CC=NC2C1
InChIInChI=1S/C10H14N2/c1-7(2)9-6-10-8(12-9)4-3-5-11-10/h3-5,7-8,10H,6H2,1-2H3
InChIKeyTVVAEUJKLDJYBV-UHFFFAOYSA-N
XLogP1.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine (CID 123415626) is 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine is CC(C)C1=NC2C=CC=NC2C1.
What is the InChIKey of 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine?
The InChIKey is TVVAEUJKLDJYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7(2)9-6-10-8(12-9)4-3-5-11-10/h3-5,7-8,10H,6H2,1-2H3.
What are the key properties of 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine?
2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine has a molecular weight of 162.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 123415626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).