[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate

C17H15NO4 — CID 16540533

IUPAC[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)C(C)OC(=O)c1ccco1
InChIInChI=1S/C17H15NO4/c1-10-15(12-6-3-4-7-13(12)18-10)16(19)11(2)22-17(20)14-8-5-9-21-14/h3-9,11,18H,1-2H3
InChIKeyJQGNFGPEOOZHDA-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.50
Rot. Bonds4

About [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate

[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate (PubChem CID 16540533) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate
PubChem CID16540533
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)C(C)OC(=O)c1ccco1
InChIInChI=1S/C17H15NO4/c1-10-15(12-6-3-4-7-13(12)18-10)16(19)11(2)22-17(20)14-8-5-9-21-14/h3-9,11,18H,1-2H3
InChIKeyJQGNFGPEOOZHDA-UHFFFAOYSA-N
XLogP3.50
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7880037
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7210590
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477053
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7889689
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7517605
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506315
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7372650
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 47006547
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468756
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 18080330
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2,3-dimethoxybenzoate
CID 51483799
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7865550

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate?
The IUPAC name of [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate (CID 16540533) is [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate?
The canonical SMILES for [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate is Cc1[nH]c2ccccc2c1C(=O)C(C)OC(=O)c1ccco1.
What is the InChIKey of [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate?
The InChIKey is JQGNFGPEOOZHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-10-15(12-6-3-4-7-13(12)18-10)16(19)11(2)22-17(20)14-8-5-9-21-14/h3-9,11,18H,1-2H3.
What are the key properties of [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate?
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 16540533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).