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

C8H8N2O — CID 89026715

IUPAC3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=CC1=CNC2N=CC=CC12
InChIInChI=1S/C8H8N2O/c11-5-6-4-10-8-7(6)2-1-3-9-8/h1-5,7-8,10H
InChIKeyKYRZFILTKGKILL-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.26
Rot. Bonds1

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

3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 89026715) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID89026715
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=CC1=CNC2N=CC=CC12
InChIInChI=1S/C8H8N2O/c11-5-6-4-10-8-7(6)2-1-3-9-8/h1-5,7-8,10H
InChIKeyKYRZFILTKGKILL-UHFFFAOYSA-N
XLogP0.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 89026715) is 3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is O=CC1=CNC2N=CC=CC12.
What is the InChIKey of 3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is KYRZFILTKGKILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c11-5-6-4-10-8-7(6)2-1-3-9-8/h1-5,7-8,10H.
What are the key properties of 3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 148.16 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 89026715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).