5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine

C10H14N2 — CID 155249859

IUPAC5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
SMILESCC(C)C1=CC2C=CNC2C=N1
InChIInChI=1S/C10H14N2/c1-7(2)9-5-8-3-4-11-10(8)6-12-9/h3-8,10-11H,1-2H3
InChIKeyDGYPGXCZCFOWCU-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.71
Rot. Bonds1

About 5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine

5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine (PubChem CID 155249859) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
PubChem CID155249859
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
SMILESCC(C)C1=CC2C=CNC2C=N1
InChIInChI=1S/C10H14N2/c1-7(2)9-5-8-3-4-11-10(8)6-12-9/h3-8,10-11H,1-2H3
InChIKeyDGYPGXCZCFOWCU-UHFFFAOYSA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine (CID 155249859) is 5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine is CC(C)C1=CC2C=CNC2C=N1.
What is the InChIKey of 5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is DGYPGXCZCFOWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7(2)9-5-8-3-4-11-10(8)6-12-9/h3-8,10-11H,1-2H3.
What are the key properties of 5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine?
5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 162.24 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 155249859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).