2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde

C10H9NO2 — CID 116927299

IUPAC2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
SMILESO=CCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C10H9NO2/c12-4-3-7-1-2-9-8(5-7)6-10(13)11-9/h1-2,4-5H,3,6H2,(H,11,13)
InChIKeyFSQQUXSYFMYYLL-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.92
Rot. Bonds2

About 2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde

2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde (PubChem CID 116927299) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
PubChem CID116927299
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
SMILESO=CCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C10H9NO2/c12-4-3-7-1-2-9-8(5-7)6-10(13)11-9/h1-2,4-5H,3,6H2,(H,11,13)
InChIKeyFSQQUXSYFMYYLL-UHFFFAOYSA-N
XLogP0.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde
CID 115223207
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-(methoxymethyl)-1,3-dihydroindol-2-one
CID 22154148
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915
5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115261107
5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115262041
bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-))
CID 158929871

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde?
The IUPAC name of 2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde (CID 116927299) is 2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde?
The canonical SMILES for 2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde is O=CCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde?
The InChIKey is FSQQUXSYFMYYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-4-3-7-1-2-9-8(5-7)6-10(13)11-9/h1-2,4-5H,3,6H2,(H,11,13).
What are the key properties of 2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde?
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde has a molecular weight of 175.19 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde is sourced from PubChem (CID 116927299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).