2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde

C8H8N2O — CID 130056874

IUPAC2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde
SMILESO=Cc1nccc2c1CNC2
InChIInChI=1S/C8H8N2O/c11-5-8-7-4-9-3-6(7)1-2-10-8/h1-2,5,9H,3-4H2
InChIKeyAKQSLOSKALDGQN-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.50
Rot. Bonds1

About 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde

2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde (PubChem CID 130056874) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde
PubChem CID130056874
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde
SMILESO=Cc1nccc2c1CNC2
InChIInChI=1S/C8H8N2O/c11-5-8-7-4-9-3-6(7)1-2-10-8/h1-2,5,9H,3-4H2
InChIKeyAKQSLOSKALDGQN-UHFFFAOYSA-N
XLogP0.50
TPSA41.99 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 ≤ 50.50
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 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde?
The IUPAC name of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde (CID 130056874) is 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde.
What is the SMILES notation for 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde?
The canonical SMILES for 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde is O=Cc1nccc2c1CNC2.
What is the InChIKey of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde?
The InChIKey is AKQSLOSKALDGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c11-5-8-7-4-9-3-6(7)1-2-10-8/h1-2,5,9H,3-4H2.
What are the key properties of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde?
2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde has a molecular weight of 148.16 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbaldehyde is sourced from PubChem (CID 130056874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).