2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde

C13H15NO3 — CID 24950980

IUPAC2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde
SMILESCOc1ccc2c(c1)[C@@](C)(CC=O)C(=O)N2C
InChIInChI=1S/C13H15NO3/c1-13(6-7-15)10-8-9(17-3)4-5-11(10)14(2)12(13)16/h4-5,7-8H,6H2,1-3H3/t13-/m1/s1
InChIKeyFZVWGABZJWFDQK-CYBMUJFWSA-N
MW233.27 g/mol
LogP1.52
Rot. Bonds3

About 2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde

2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde (PubChem CID 24950980) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde
PubChem CID24950980
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde
SMILESCOc1ccc2c(c1)[C@@](C)(CC=O)C(=O)N2C
InChIInChI=1S/C13H15NO3/c1-13(6-7-15)10-8-9(17-3)4-5-11(10)14(2)12(13)16/h4-5,7-8H,6H2,1-3H3/t13-/m1/s1
InChIKeyFZVWGABZJWFDQK-CYBMUJFWSA-N
XLogP1.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
CID 122383976
2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
CID 11183300
3-bromo-5-methoxy-1,3-dimethylindol-2-one
CID 163653219
ethyl 3-fluoro-5-methoxy-1-methyl-2-oxoindole-3-carboxylate
CID 162342797
5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione
CID 68674859
(2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione
CID 132531797
(6-methoxy-2,4-dimethyl-1,3-dioxoisoquinolin-4-yl)methyl selenocyanate
CID 172557865
N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide
CID 171636455
3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
N-[[(3R)-1,3-dimethyl-2-oxoindol-3-yl]methyl]-4-methoxybenzamide
CID 139187913
(3S)-5-methoxy-N-(2-methoxyethyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104286
3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
CID 132558232

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde?
The IUPAC name of 2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde (CID 24950980) is 2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde.
What is the SMILES notation for 2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde?
The canonical SMILES for 2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde is COc1ccc2c(c1)[C@@](C)(CC=O)C(=O)N2C.
What is the InChIKey of 2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde?
The InChIKey is FZVWGABZJWFDQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(6-7-15)10-8-9(17-3)4-5-11(10)14(2)12(13)16/h4-5,7-8H,6H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde?
2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde has a molecular weight of 233.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde is sourced from PubChem (CID 24950980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).