2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde

C12H13NO2 — CID 11183300

IUPAC2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
SMILESCN1C(=O)C(C)(CC=O)c2ccccc21
InChIInChI=1S/C12H13NO2/c1-12(7-8-14)9-5-3-4-6-10(9)13(2)11(12)15/h3-6,8H,7H2,1-2H3
InChIKeyFUVKKIYCNRBENE-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.51
Rot. Bonds2

About 2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde

2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde (PubChem CID 11183300) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
PubChem CID11183300
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
SMILESCN1C(=O)C(C)(CC=O)c2ccccc21
InChIInChI=1S/C12H13NO2/c1-12(7-8-14)9-5-3-4-6-10(9)13(2)11(12)15/h3-6,8H,7H2,1-2H3
InChIKeyFUVKKIYCNRBENE-UHFFFAOYSA-N
XLogP1.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1,3-dimethylindol-2-one
CID 14449303
(3R)-3-(2,2-dichloroethyl)-1,3-dimethylindol-2-one
CID 102335587
2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde
CID 24950980
(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one
CID 125478862
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
CID 97356041
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274
3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
CID 102528889
3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one
CID 175686972
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
3-(1,3-dimethyl-2-oxoindol-3-yl)-2-methylpropanenitrile
CID 162413977
3-(cyclohexylmethyl)-1,3-dimethylindol-2-one
CID 102226125

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde?
The IUPAC name of 2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde (CID 11183300) is 2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde?
The canonical SMILES for 2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde is CN1C(=O)C(C)(CC=O)c2ccccc21.
What is the InChIKey of 2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde?
The InChIKey is FUVKKIYCNRBENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(7-8-14)9-5-3-4-6-10(9)13(2)11(12)15/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde?
2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde has a molecular weight of 203.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde is sourced from PubChem (CID 11183300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).