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

C10H9NO2 — CID 22380583

IUPAC2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde
SMILESO=CCC1C(=O)Nc2ccccc21
InChIInChI=1S/C10H9NO2/c12-6-5-8-7-3-1-2-4-9(7)11-10(8)13/h1-4,6,8H,5H2,(H,11,13)
InChIKeyBJLIGRDZDRGQOE-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.31
Rot. Bonds2

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

2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde (PubChem CID 22380583) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde
PubChem CID22380583
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde
SMILESO=CCC1C(=O)Nc2ccccc21
InChIInChI=1S/C10H9NO2/c12-6-5-8-7-3-1-2-4-9(7)11-10(8)13/h1-4,6,8H,5H2,(H,11,13)
InChIKeyBJLIGRDZDRGQOE-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
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

3-(2-oxo-1,3-dihydroindol-3-yl)propanal
CID 86190152
3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one
CID 70440034
oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium
CID 175320984
3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
CID 2803153
3-(2-methylpentyl)-1,3-dihydroindol-2-one
CID 106986975
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 589482
N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694642
(3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one
CID 129387189
3-hexyl-1,3-dihydroindol-2-one
CID 106986515
3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912552
4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110694594
ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile
CID 163373688

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde?
The IUPAC name of 2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde (CID 22380583) is 2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde?
The canonical SMILES for 2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde is O=CCC1C(=O)Nc2ccccc21.
What is the InChIKey of 2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde?
The InChIKey is BJLIGRDZDRGQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-6-5-8-7-3-1-2-4-9(7)11-10(8)13/h1-4,6,8H,5H2,(H,11,13).
What are the key properties of 2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde?
2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.31, 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-3-yl)acetaldehyde is sourced from PubChem (CID 22380583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).