2-indol-1-ylbenzaldehyde

C15H11NO — CID 22400862

IUPAC2-indol-1-ylbenzaldehyde
SMILESO=Cc1ccccc1-n1ccc2ccccc21
InChIInChI=1S/C15H11NO/c17-11-13-6-2-4-8-15(13)16-10-9-12-5-1-3-7-14(12)16/h1-11H
InChIKeySMMNMBQRYONHOU-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.44
Rot. Bonds2

About 2-indol-1-ylbenzaldehyde

2-indol-1-ylbenzaldehyde (PubChem CID 22400862) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-indol-1-ylbenzaldehyde.

Molecular Properties

Compound Name2-indol-1-ylbenzaldehyde
PubChem CID22400862
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name2-indol-1-ylbenzaldehyde
SMILESO=Cc1ccccc1-n1ccc2ccccc21
InChIInChI=1S/C15H11NO/c17-11-13-6-2-4-8-15(13)16-10-9-12-5-1-3-7-14(12)16/h1-11H
InChIKeySMMNMBQRYONHOU-UHFFFAOYSA-N
XLogP3.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-indol-1-ylbenzaldehyde?
The IUPAC name of 2-indol-1-ylbenzaldehyde (CID 22400862) is 2-indol-1-ylbenzaldehyde.
What is the SMILES notation for 2-indol-1-ylbenzaldehyde?
The canonical SMILES for 2-indol-1-ylbenzaldehyde is O=Cc1ccccc1-n1ccc2ccccc21.
What is the InChIKey of 2-indol-1-ylbenzaldehyde?
The InChIKey is SMMNMBQRYONHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-11-13-6-2-4-8-15(13)16-10-9-12-5-1-3-7-14(12)16/h1-11H.
What are the key properties of 2-indol-1-ylbenzaldehyde?
2-indol-1-ylbenzaldehyde has a molecular weight of 221.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-ylbenzaldehyde is sourced from PubChem (CID 22400862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).