methyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate

C17H17NO4 — CID 177420512

IUPACmethyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate
SMILESCOC(=O)C(C(=O)n1cc(C)c2ccccc21)C1=COCC1
InChIInChI=1S/C17H17NO4/c1-11-9-18(14-6-4-3-5-13(11)14)16(19)15(17(20)21-2)12-7-8-22-10-12/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyVXWUKJFUEVZPOA-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.68
Rot. Bonds3

About methyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate

methyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate (PubChem CID 177420512) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate
PubChem CID177420512
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate
SMILESCOC(=O)C(C(=O)n1cc(C)c2ccccc21)C1=COCC1
InChIInChI=1S/C17H17NO4/c1-11-9-18(14-6-4-3-5-13(11)14)16(19)15(17(20)21-2)12-7-8-22-10-12/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyVXWUKJFUEVZPOA-UHFFFAOYSA-N
XLogP2.68
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(7-Hexylindol-1-yl)-5-oxopentanoic acid
CID 49800562
5-(5-Hexylindol-1-yl)-5-oxopentanoic acid
CID 49800564
5-(6-Hexylindol-1-yl)-5-oxopentanoic acid
CID 49800839
5-(3-Hexylindol-1-yl)-5-oxopentanoic acid
CID 49804582
Methyl (3S)-(+)-3-(1-methylindol-3-yl)butanoate
CID 16217425
Methyl (3R)-3-(1-methyl-1H-indol-3-yl)butanoate
CID 16217426
Methyl 2-(4-fluorophenyl)-1-(indole-1-carbonyl)cyclopropane-1-carboxylate
CID 135074758
dimethyl 2-[(2S)-4-methyl-2-(1-methylindol-3-yl)-3-(trifluoromethyl)pent-3-enyl]propanedioate
CID 168304058
1H-Indole-3-propanoic acid, 1-acetyl-, methyl ester
CID 582459
2-(1-Acetylindol-3-yl)ethyl acetate
CID 135086767
tert-Butyl 3-(3-methoxy-3-oxopropyl)-1H-indole-1-carboxylate
CID 21716281
Dimethyl 2-bromo-2-(3-indol-1-ylpropyl)propanedioate
CID 68351978

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate?
The IUPAC name of methyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate (CID 177420512) is methyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate.
What is the SMILES notation for methyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate?
The canonical SMILES for methyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate is COC(=O)C(C(=O)n1cc(C)c2ccccc21)C1=COCC1.
What is the InChIKey of methyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate?
The InChIKey is VXWUKJFUEVZPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-9-18(14-6-4-3-5-13(11)14)16(19)15(17(20)21-2)12-7-8-22-10-12/h3-6,9-10,15H,7-8H2,1-2H3.
What are the key properties of methyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate?
methyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate has a molecular weight of 299.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydrofuran-4-yl)-3-(3-methylindol-1-yl)-3-oxopropanoate is sourced from PubChem (CID 177420512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).