(6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione

C22H18N2O5 — CID 135305783

IUPAC(6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione
SMILESO=C1C[C@H](CCN2C(=O)c3ccccc3C2=O)OC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H18N2O5/c25-13-11-14(9-10-24-19(26)15-5-1-2-6-16(15)20(24)27)29-22(12-13)17-7-3-4-8-18(17)23-21(22)28/h1-8,14H,9-12H2,(H,23,28)/t14-,22?/m0/s1
InChIKeyUDZLLFXWWCVQGI-XLEXHMCLSA-N
MW390.40 g/mol
LogP2.27
Rot. Bonds3

About (6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione

(6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione (PubChem CID 135305783) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is (6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione.

Molecular Properties

Compound Name(6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione
PubChem CID135305783
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name(6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione
SMILESO=C1C[C@H](CCN2C(=O)c3ccccc3C2=O)OC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H18N2O5/c25-13-11-14(9-10-24-19(26)15-5-1-2-6-16(15)20(24)27)29-22(12-13)17-7-3-4-8-18(17)23-21(22)28/h1-8,14H,9-12H2,(H,23,28)/t14-,22?/m0/s1
InChIKeyUDZLLFXWWCVQGI-XLEXHMCLSA-N
XLogP2.27
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6'-but-3-ynylspiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 123642276
(2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one
CID 162959161
2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 11012759
4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
CID 123548047
2-[3-(3,3-dimethyloxiran-2-yl)propyl]isoindole-1,3-dione
CID 122459306
2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione
CID 25211441
2-[4-(oxiran-2-yl)butyl]isoindole-1,3-dione
CID 15410507
2-[2-[(2S,4S)-4-methyl-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione
CID 58273111
(4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
CID 118340195
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
(1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one
CID 139218215
2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione
CID 25211439

Frequently Asked Questions

What is the IUPAC name of (6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione?
The IUPAC name of (6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione (CID 135305783) is (6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione.
What is the SMILES notation for (6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione?
The canonical SMILES for (6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione is O=C1C[C@H](CCN2C(=O)c3ccccc3C2=O)OC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of (6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione?
The InChIKey is UDZLLFXWWCVQGI-XLEXHMCLSA-N. The full InChI is InChI=1S/C22H18N2O5/c25-13-11-14(9-10-24-19(26)15-5-1-2-6-16(15)20(24)27)29-22(12-13)17-7-3-4-8-18(17)23-21(22)28/h1-8,14H,9-12H2,(H,23,28)/t14-,22?/m0/s1.
What are the key properties of (6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione?
(6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione has a molecular weight of 390.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione is sourced from PubChem (CID 135305783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).