1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde

C17H14N2O — CID 77133242

IUPAC1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1cn(CC=Cc2ccccc2)c2ncccc12
InChIInChI=1S/C17H14N2O/c20-13-15-12-19(17-16(15)9-4-10-18-17)11-5-8-14-6-2-1-3-7-14/h1-10,12-13H,11H2
InChIKeyLLAFAPZEOLRUMC-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.56
Rot. Bonds4

About 1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde

1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 77133242) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID77133242
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1cn(CC=Cc2ccccc2)c2ncccc12
InChIInChI=1S/C17H14N2O/c20-13-15-12-19(17-16(15)9-4-10-18-17)11-5-8-14-6-2-1-3-7-14/h1-10,12-13H,11H2
InChIKeyLLAFAPZEOLRUMC-UHFFFAOYSA-N
XLogP3.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
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 1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 77133242) is 1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde is O=Cc1cn(CC=Cc2ccccc2)c2ncccc12.
What is the InChIKey of 1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is LLAFAPZEOLRUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-13-15-12-19(17-16(15)9-4-10-18-17)11-5-8-14-6-2-1-3-7-14/h1-10,12-13H,11H2.
What are the key properties of 1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde?
1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 262.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 77133242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).