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

C15H14N2O — CID 146470092

IUPAC2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde
SMILESO=CC(c1cccnc1)N1CCc2ccccc21
InChIInChI=1S/C15H14N2O/c18-11-15(13-5-3-8-16-10-13)17-9-7-12-4-1-2-6-14(12)17/h1-6,8,10-11,15H,7,9H2
InChIKeyDVLJIHNHIHUUNI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.38
Rot. Bonds3

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

2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde (PubChem CID 146470092) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde
PubChem CID146470092
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde
SMILESO=CC(c1cccnc1)N1CCc2ccccc21
InChIInChI=1S/C15H14N2O/c18-11-15(13-5-3-8-16-10-13)17-9-7-12-4-1-2-6-14(12)17/h1-6,8,10-11,15H,7,9H2
InChIKeyDVLJIHNHIHUUNI-UHFFFAOYSA-N
XLogP2.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.38
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 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde (CID 146470092) is 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde is O=CC(c1cccnc1)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde?
The InChIKey is DVLJIHNHIHUUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-11-15(13-5-3-8-16-10-13)17-9-7-12-4-1-2-6-14(12)17/h1-6,8,10-11,15H,7,9H2.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde?
2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde has a molecular weight of 238.29 g/mol, XLogP of 2.38, 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-ylacetaldehyde is sourced from PubChem (CID 146470092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).