5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde

C18H14N2O3 — CID 135142567

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde
SMILESO=CN1CCc2cc(CN3C(=O)c4ccccc4C3=O)ccc21
InChIInChI=1S/C18H14N2O3/c21-11-19-8-7-13-9-12(5-6-16(13)19)10-20-17(22)14-3-1-2-4-15(14)18(20)23/h1-6,9,11H,7-8,10H2
InChIKeyFUBFKXGRTKGTHT-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.00
Rot. Bonds3

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde

5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde (PubChem CID 135142567) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde
PubChem CID135142567
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde
SMILESO=CN1CCc2cc(CN3C(=O)c4ccccc4C3=O)ccc21
InChIInChI=1S/C18H14N2O3/c21-11-19-8-7-13-9-12(5-6-16(13)19)10-20-17(22)14-3-1-2-4-15(14)18(20)23/h1-6,9,11H,7-8,10H2
InChIKeyFUBFKXGRTKGTHT-UHFFFAOYSA-N
XLogP2.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde
CID 82503449
2-[[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methyl]isoindole-1,3-dione
CID 1250744
5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde
CID 14376738
2-(3H-indol-5-ylmethyl)isoindole-1,3-dione
CID 19593939
2-[(2-bromo-1-oxo-2,3-dihydroinden-5-yl)methyl]isoindole-1,3-dione
CID 18790724
1-formyl-2,3-dihydroindole-5-carboxylic acid
CID 61147748
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione
CID 15843092
2-[[3-bromo-5-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]isoindole-1,3-dione
CID 15417918
2-[(1-methyl-3H-2,1-benzoxaborol-6-yl)methyl]isoindole-1,3-dione
CID 167596796
2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione
CID 21204263

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde (CID 135142567) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde is O=CN1CCc2cc(CN3C(=O)c4ccccc4C3=O)ccc21.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde?
The InChIKey is FUBFKXGRTKGTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-11-19-8-7-13-9-12(5-6-16(13)19)10-20-17(22)14-3-1-2-4-15(14)18(20)23/h1-6,9,11H,7-8,10H2.
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde?
5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde has a molecular weight of 306.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde is sourced from PubChem (CID 135142567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).