4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde

C9H12N2O — CID 166008882

IUPAC4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde
SMILESCN1CCC=C2NCC(C=O)=C21
InChIInChI=1S/C9H12N2O/c1-11-4-2-3-8-9(11)7(6-12)5-10-8/h3,6,10H,2,4-5H2,1H3
InChIKeyINXLGBXBEGHMBX-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.26
Rot. Bonds1

About 4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde

4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde (PubChem CID 166008882) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde
PubChem CID166008882
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde
SMILESCN1CCC=C2NCC(C=O)=C21
InChIInChI=1S/C9H12N2O/c1-11-4-2-3-8-9(11)7(6-12)5-10-8/h3,6,10H,2,4-5H2,1H3
InChIKeyINXLGBXBEGHMBX-UHFFFAOYSA-N
XLogP0.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
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 4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde?
The IUPAC name of 4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde (CID 166008882) is 4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde?
The canonical SMILES for 4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde is CN1CCC=C2NCC(C=O)=C21.
What is the InChIKey of 4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde?
The InChIKey is INXLGBXBEGHMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-4-2-3-8-9(11)7(6-12)5-10-8/h3,6,10H,2,4-5H2,1H3.
What are the key properties of 4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde?
4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde has a molecular weight of 164.21 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 4-methyl-1,2,5,6-tetrahydropyrrolo[3,2-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 166008882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).