methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate

C14H15NO5 — CID 82667530

IUPACmethyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)c1c[nH]c2cc(OC)cc(OC)c12
InChIInChI=1S/C14H15NO5/c1-18-8-4-10-14(12(5-8)19-2)9(7-15-10)11(16)6-13(17)20-3/h4-5,7,15H,6H2,1-3H3
InChIKeyPWMFTAVPISZYAF-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.93
Rot. Bonds5

About methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate

methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate (PubChem CID 82667530) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate
PubChem CID82667530
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Namemethyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)c1c[nH]c2cc(OC)cc(OC)c12
InChIInChI=1S/C14H15NO5/c1-18-8-4-10-14(12(5-8)19-2)9(7-15-10)11(16)6-13(17)20-3/h4-5,7,15H,6H2,1-3H3
InChIKeyPWMFTAVPISZYAF-UHFFFAOYSA-N
XLogP1.93
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate 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

(3,4,5-trimethoxyphenyl) 5,7-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 137470476
4-chloro-6-methoxy-1H-indole-3-carboxylic acid
CID 118644703
4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole
CID 15268585
4-(4,6-dimethoxy-1H-indol-3-yl)phenol
CID 11391542
methyl 3-oxo-3-[6-(trifluoromethyl)-1H-indol-3-yl]propanoate
CID 82667620
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
methyl 3-(4-chloro-7-methyl-1H-indol-3-yl)-3-oxopropanoate
CID 82667196
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate
CID 69082969
methyl 3-(4-chloro-2-methoxyphenyl)-3-oxopropanoate
CID 70925530
2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
CID 83164264
3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole
CID 11033510

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate?
The IUPAC name of methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate (CID 82667530) is methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate?
The canonical SMILES for methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate is COC(=O)CC(=O)c1c[nH]c2cc(OC)cc(OC)c12.
What is the InChIKey of methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate?
The InChIKey is PWMFTAVPISZYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-18-8-4-10-14(12(5-8)19-2)9(7-15-10)11(16)6-13(17)20-3/h4-5,7,15H,6H2,1-3H3.
What are the key properties of methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate?
methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate has a molecular weight of 277.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate is sourced from PubChem (CID 82667530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).