2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

C9H12N2 — CID 155148574

IUPAC2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCCC1=CC2N=CC=CC2N1
InChIInChI=1S/C9H12N2/c1-2-7-6-9-8(11-7)4-3-5-10-9/h3-6,8-9,11H,2H2,1H3
InChIKeyLYGDDUXMTMDMKZ-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.26
Rot. Bonds1

About 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 155148574) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID155148574
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCCC1=CC2N=CC=CC2N1
InChIInChI=1S/C9H12N2/c1-2-7-6-9-8(11-7)4-3-5-10-9/h3-6,8-9,11H,2H2,1H3
InChIKeyLYGDDUXMTMDMKZ-UHFFFAOYSA-N
XLogP1.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 155148574) is 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is CCC1=CC2N=CC=CC2N1.
What is the InChIKey of 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is LYGDDUXMTMDMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-7-6-9-8(11-7)4-3-5-10-9/h3-6,8-9,11H,2H2,1H3.
What are the key properties of 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 148.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 155148574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).