2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione

C23H18N2O3 — CID 991448

IUPAC2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H18N2O3/c26-15(14-25-22(27)18-9-1-2-10-19(18)23(25)28)13-24-20-11-5-3-7-16(20)17-8-4-6-12-21(17)24/h1-12,15,26H,13-14H2/t15-/m0/s1
InChIKeyZUBXGLYESQUZRN-HNNXBMFYSA-N
MW370.41 g/mol
LogP3.45
Rot. Bonds4

About 2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione

2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione (PubChem CID 991448) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione
PubChem CID991448
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H18N2O3/c26-15(14-25-22(27)18-9-1-2-10-19(18)23(25)28)13-24-20-11-5-3-7-16(20)17-8-4-6-12-21(17)24/h1-12,15,26H,13-14H2/t15-/m0/s1
InChIKeyZUBXGLYESQUZRN-HNNXBMFYSA-N
XLogP3.45
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-carbazol-9-yl-2-hydroxypropyl)isoindole-1,3-dione
CID 2851792
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
2-(3-carbazol-9-yl-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 42944282
2-(2-hydroxypent-4-ynyl)isoindole-1,3-dione
CID 118917495
(3S)-1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-fluoropyrrolidin-2-one
CID 118423656
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
2-[(2S)-3-[4-[(2R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]isoindole-1,3-dione
CID 1102637
2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione
CID 45158358
2-(2-hydroxyhexyl)isoindole-1,3-dione
CID 67854445
2-[2-hydroxy-3-(4-methyltriazol-1-yl)propyl]isoindole-1,3-dione
CID 138020559

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione (CID 991448) is 2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione?
The InChIKey is ZUBXGLYESQUZRN-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-15(14-25-22(27)18-9-1-2-10-19(18)23(25)28)13-24-20-11-5-3-7-16(20)17-8-4-6-12-21(17)24/h1-12,15,26H,13-14H2/t15-/m0/s1.
What are the key properties of 2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione?
2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione has a molecular weight of 370.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione is sourced from PubChem (CID 991448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).