2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal

C16H16N2O — CID 118292696

IUPAC2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal
SMILESCC(C=O)(c1cccnc1)N1CCc2ccccc21
InChIInChI=1S/C16H16N2O/c1-16(12-19,14-6-4-9-17-11-14)18-10-8-13-5-2-3-7-15(13)18/h2-7,9,11-12H,8,10H2,1H3
InChIKeyRYAKGQLISHVAII-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.56
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal

2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal (PubChem CID 118292696) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal
PubChem CID118292696
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal
SMILESCC(C=O)(c1cccnc1)N1CCc2ccccc21
InChIInChI=1S/C16H16N2O/c1-16(12-19,14-6-4-9-17-11-14)18-10-8-13-5-2-3-7-15(13)18/h2-7,9,11-12H,8,10H2,1H3
InChIKeyRYAKGQLISHVAII-UHFFFAOYSA-N
XLogP2.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydroindol-1-yl)-2-methylpropanal
CID 130948019
1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine
CID 58845164
2-bromo-2-pyridin-3-ylpropanal
CID 174678560
2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde
CID 146470092
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal
CID 62277118
3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal
CID 62277904
2-pyridin-3-ylpropane-2-sulfinic acid
CID 174709525
1-(4-pyridin-3-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454423
1-(2-morpholin-4-ylphenyl)-1-pyridin-3-ylethanol
CID 175567529
1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole
CID 66493687
1-[4-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]-2,3-dihydroindole
CID 171110131
tripyridin-3-ylmethanol
CID 177395677

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal (CID 118292696) is 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal is CC(C=O)(c1cccnc1)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal?
The InChIKey is RYAKGQLISHVAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-16(12-19,14-6-4-9-17-11-14)18-10-8-13-5-2-3-7-15(13)18/h2-7,9,11-12H,8,10H2,1H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal?
2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal has a molecular weight of 252.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal is sourced from PubChem (CID 118292696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).