methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate

C14H13NO5 — CID 141481995

IUPACmethyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate
SMILESCOC(=O)C(=O)Cc1c(C(=O)OC)[nH]c2ccccc12
InChIInChI=1S/C14H13NO5/c1-19-13(17)11(16)7-9-8-5-3-4-6-10(8)15-12(9)14(18)20-2/h3-6,15H,7H2,1-2H3
InChIKeyUVRWKGVGFDXLOE-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.24
Rot. Bonds4

About methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate

methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate (PubChem CID 141481995) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate
PubChem CID141481995
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Namemethyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate
SMILESCOC(=O)C(=O)Cc1c(C(=O)OC)[nH]c2ccccc12
InChIInChI=1S/C14H13NO5/c1-19-13(17)11(16)7-9-8-5-3-4-6-10(8)15-12(9)14(18)20-2/h3-6,15H,7H2,1-2H3
InChIKeyUVRWKGVGFDXLOE-UHFFFAOYSA-N
XLogP1.24
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-methoxy-4-oxobutyl)-1H-indole-2-carboxylate
CID 68579658
methyl 3-propanoyl-1H-indole-2-carboxylate
CID 23245117
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
methyl 3-(3,3,3-trifluoro-2-methoxycarbonylpropyl)-1H-indole-2-carboxylate
CID 141482018
ethane;methyl 3-formyl-1H-indole-2-carboxylate
CID 143494583
methyl 2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946262
2-(2-ethoxycarbonyl-1H-indol-3-yl)ethylazanium chloride
CID 16641200
3-(2-methoxycarbonyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880636
methyl 3-[(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1H-indole-2-carboxylate
CID 11673804
3-(methoxymethyl)-1H-indole-2-carboxylic acid
CID 54375862
methyl 3-(hydroxyiminomethyl)-1H-indole-2-carboxylate
CID 135463087
methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate
CID 46868381

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate (CID 141481995) is methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate is COC(=O)C(=O)Cc1c(C(=O)OC)[nH]c2ccccc12.
What is the InChIKey of methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate?
The InChIKey is UVRWKGVGFDXLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-19-13(17)11(16)7-9-8-5-3-4-6-10(8)15-12(9)14(18)20-2/h3-6,15H,7H2,1-2H3.
What are the key properties of methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate?
methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate has a molecular weight of 275.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate is sourced from PubChem (CID 141481995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).