2-(4-oxoindol-2-yl)acetaldehyde

C10H7NO2 — CID 172749920

IUPAC2-(4-oxoindol-2-yl)acetaldehyde
SMILESO=CCC1=NC2=CC=CC(=O)C2=C1
InChIInChI=1S/C10H7NO2/c12-5-4-7-6-8-9(11-7)2-1-3-10(8)13/h1-3,5-6H,4H2
InChIKeyKFRKRKNBPVAPTH-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.98
Rot. Bonds2

About 2-(4-oxoindol-2-yl)acetaldehyde

2-(4-oxoindol-2-yl)acetaldehyde (PubChem CID 172749920) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-(4-oxoindol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-oxoindol-2-yl)acetaldehyde
PubChem CID172749920
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name2-(4-oxoindol-2-yl)acetaldehyde
SMILESO=CCC1=NC2=CC=CC(=O)C2=C1
InChIInChI=1S/C10H7NO2/c12-5-4-7-6-8-9(11-7)2-1-3-10(8)13/h1-3,5-6H,4H2
InChIKeyKFRKRKNBPVAPTH-UHFFFAOYSA-N
XLogP0.98
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.98
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-(4-oxoindol-2-yl)acetaldehyde?
The IUPAC name of 2-(4-oxoindol-2-yl)acetaldehyde (CID 172749920) is 2-(4-oxoindol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(4-oxoindol-2-yl)acetaldehyde?
The canonical SMILES for 2-(4-oxoindol-2-yl)acetaldehyde is O=CCC1=NC2=CC=CC(=O)C2=C1.
What is the InChIKey of 2-(4-oxoindol-2-yl)acetaldehyde?
The InChIKey is KFRKRKNBPVAPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-5-4-7-6-8-9(11-7)2-1-3-10(8)13/h1-3,5-6H,4H2.
What are the key properties of 2-(4-oxoindol-2-yl)acetaldehyde?
2-(4-oxoindol-2-yl)acetaldehyde has a molecular weight of 173.17 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoindol-2-yl)acetaldehyde is sourced from PubChem (CID 172749920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).