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

C9H12N2 — CID 118493350

IUPAC2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine
SMILESCCC1=CC2C=NC=CC2N1
InChIInChI=1S/C9H12N2/c1-2-8-5-7-6-10-4-3-9(7)11-8/h3-7,9,11H,2H2,1H3
InChIKeyAZZJFMCUXBDYLX-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.47
Rot. Bonds1

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

2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine (PubChem CID 118493350) 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-c]pyridine.

Molecular Properties

Compound Name2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine
PubChem CID118493350
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine
SMILESCCC1=CC2C=NC=CC2N1
InChIInChI=1S/C9H12N2/c1-2-8-5-7-6-10-4-3-9(7)11-8/h3-7,9,11H,2H2,1H3
InChIKeyAZZJFMCUXBDYLX-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine (CID 118493350) is 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine is CCC1=CC2C=NC=CC2N1.
What is the InChIKey of 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is AZZJFMCUXBDYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-8-5-7-6-10-4-3-9(7)11-8/h3-7,9,11H,2H2,1H3.
What are the key properties of 2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine?
2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 148.21 g/mol, XLogP of 1.47, 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-c]pyridine is sourced from PubChem (CID 118493350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).