[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate

C15H13NO4 — CID 2429900

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccco1
InChIInChI=1S/C15H13NO4/c17-14(10-20-15(18)13-6-3-9-19-13)16-8-7-11-4-1-2-5-12(11)16/h1-6,9H,7-8,10H2
InChIKeyJJSUPBPPBRGYIL-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.03
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate (PubChem CID 2429900) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate
PubChem CID2429900
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccco1
InChIInChI=1S/C15H13NO4/c17-14(10-20-15(18)13-6-3-9-19-13)16-8-7-11-4-1-2-5-12(11)16/h1-6,9H,7-8,10H2
InChIKeyJJSUPBPPBRGYIL-UHFFFAOYSA-N
XLogP2.03
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2511354
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2467912
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542921
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] anthracene-9-carboxylate
CID 4044889
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7914646
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 2419372
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 27065887
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2715336
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010543
1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 37376175
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate (CID 2429900) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate is O=C(OCC(=O)N1CCc2ccccc21)c1ccco1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is JJSUPBPPBRGYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-14(10-20-15(18)13-6-3-9-19-13)16-8-7-11-4-1-2-5-12(11)16/h1-6,9H,7-8,10H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 271.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 2429900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).