methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate

C12H11NO4 — CID 11128197

IUPACmethyl 2-(1-methoxyindol-3-yl)-2-oxoacetate
SMILESCOC(=O)C(=O)c1cn(OC)c2ccccc12
InChIInChI=1S/C12H11NO4/c1-16-12(15)11(14)9-7-13(17-2)10-6-4-3-5-8(9)10/h3-7H,1-2H3
InChIKeySKMFLUNLKLATRI-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.06
Rot. Bonds3

About methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate

methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate (PubChem CID 11128197) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(1-methoxyindol-3-yl)-2-oxoacetate
PubChem CID11128197
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Namemethyl 2-(1-methoxyindol-3-yl)-2-oxoacetate
SMILESCOC(=O)C(=O)c1cn(OC)c2ccccc12
InChIInChI=1S/C12H11NO4/c1-16-12(15)11(14)9-7-13(17-2)10-6-4-3-5-8(9)10/h3-7H,1-2H3
InChIKeySKMFLUNLKLATRI-UHFFFAOYSA-N
XLogP1.06
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate 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

methyl 2-(1-ethoxyindol-3-yl)-2-oxoacetate
CID 11831748
methyl 2-oxo-2-(1-thiophen-2-ylindol-3-yl)acetate
CID 22591996
(E)-1,3-bis(1-methoxyindol-3-yl)prop-2-en-1-one
CID 155387918
methyl 2-[1-(1-benzothiophen-3-yl)indol-3-yl]-2-oxoacetate
CID 22591974
CID 159665167
CID 159665167
methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate
CID 143393503
2-(1-methoxyindol-3-yl)-N-pyridin-2-ylacetamide
CID 141490268
2-hydroxy-N-[2-(1-methoxyindol-3-yl)ethyl]acetamide
CID 69330952
methyl 2-(4-chloronaphthalen-1-yl)-2-oxoacetate
CID 112616492
methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate
CID 70426707
methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate
CID 13090171
N-(2-bromophenyl)-2-(1-methoxyindol-3-yl)acetamide
CID 141490301

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate?
The IUPAC name of methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate (CID 11128197) is methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate.
What is the SMILES notation for methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate?
The canonical SMILES for methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate is COC(=O)C(=O)c1cn(OC)c2ccccc12.
What is the InChIKey of methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate?
The InChIKey is SKMFLUNLKLATRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-12(15)11(14)9-7-13(17-2)10-6-4-3-5-8(9)10/h3-7H,1-2H3.
What are the key properties of methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate?
methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate has a molecular weight of 233.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate is sourced from PubChem (CID 11128197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).