[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium

C21H21N2O2+ — CID 8696037

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESO=C(C[NH2+][C@H](c1ccccc1)c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C21H20N2O2/c24-20(23-13-12-16-7-4-5-10-18(16)23)15-22-21(19-11-6-14-25-19)17-8-2-1-3-9-17/h1-11,14,21-22H,12-13,15H2/p+1/t21-/m1/s1
InChIKeyFUZLRJPPUJMFLK-OAQYLSRUSA-O
MW333.41 g/mol
LogP2.52
Rot. Bonds5

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium (PubChem CID 8696037) has the molecular formula C21H21N2O2+ and a molecular weight of 333.41 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
PubChem CID8696037
Molecular FormulaC21H21N2O2+
Molecular Weight333.41 g/mol
Exact Mass333.16
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESO=C(C[NH2+][C@H](c1ccccc1)c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C21H20N2O2/c24-20(23-13-12-16-7-4-5-10-18(16)23)15-22-21(19-11-6-14-25-19)17-8-2-1-3-9-17/h1-11,14,21-22H,12-13,15H2/p+1/t21-/m1/s1
InChIKeyFUZLRJPPUJMFLK-OAQYLSRUSA-O
XLogP2.52
TPSA50.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium with MolForge

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Related Compounds

benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium
CID 8595991
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 8755765
2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 18275650
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 37376175
benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium
CID 9105990
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate
CID 2429900
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
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]-pentylazanium
CID 2443776
[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8756335

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium (CID 8696037) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium is O=C(C[NH2+][C@H](c1ccccc1)c1ccco1)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The InChIKey is FUZLRJPPUJMFLK-OAQYLSRUSA-O. The full InChI is InChI=1S/C21H20N2O2/c24-20(23-13-12-16-7-4-5-10-18(16)23)15-22-21(19-11-6-14-25-19)17-8-2-1-3-9-17/h1-11,14,21-22H,12-13,15H2/p+1/t21-/m1/s1.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium has a molecular weight of 333.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium is sourced from PubChem (CID 8696037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).