2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde

C14H13N3O3 — CID 166948259

IUPAC2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde
SMILESO=CCc1ccc2nn(C3CCC(=O)NC3=O)cc2c1
InChIInChI=1S/C14H13N3O3/c18-6-5-9-1-2-11-10(7-9)8-17(16-11)12-3-4-13(19)15-14(12)20/h1-2,6-8,12H,3-5H2,(H,15,19,20)
InChIKeyRGYLZGNYDISLMF-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.76
Rot. Bonds3

About 2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde

2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde (PubChem CID 166948259) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde
PubChem CID166948259
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde
SMILESO=CCc1ccc2nn(C3CCC(=O)NC3=O)cc2c1
InChIInChI=1S/C14H13N3O3/c18-6-5-9-1-2-11-10(7-9)8-17(16-11)12-3-4-13(19)15-14(12)20/h1-2,6-8,12H,3-5H2,(H,15,19,20)
InChIKeyRGYLZGNYDISLMF-UHFFFAOYSA-N
XLogP0.76
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-indazol-2-ylpiperidine-2,6-dione
CID 138467082
3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione
CID 166946007
3-(4-bromopyrazol-1-yl)piperidine-2,6-dione
CID 135273234
(3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione
CID 166478748
3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 171058791
3-[7-(hydroxymethyl)-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 172555183
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]piperidine-4-carbaldehyde
CID 176695485
3-[7-(aminomethyl)-1-oxoisoquinolin-2-yl]piperidine-2,6-dione
CID 142469980
6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbaldehyde
CID 170978784
3-(5-bromoisoindol-2-yl)piperidine-2,6-dione
CID 91547260
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]formamide
CID 130219683
1-[(4-methoxyphenyl)methyl]-3-(5-piperidin-1-ylindazol-2-yl)piperidine-2,6-dione
CID 168874652

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde (CID 166948259) is 2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde is O=CCc1ccc2nn(C3CCC(=O)NC3=O)cc2c1.
What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde?
The InChIKey is RGYLZGNYDISLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-6-5-9-1-2-11-10(7-9)8-17(16-11)12-3-4-13(19)15-14(12)20/h1-2,6-8,12H,3-5H2,(H,15,19,20).
What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde?
2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde has a molecular weight of 271.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde is sourced from PubChem (CID 166948259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).