2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile

C14H11N3O3 — CID 91259268

IUPAC2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile
SMILESN#Cc1cccc2c(O)n(C3CCC(=O)NC3=O)cc12
InChIInChI=1S/C14H11N3O3/c15-6-8-2-1-3-9-10(8)7-17(14(9)20)11-4-5-12(18)16-13(11)19/h1-3,7,11,20H,4-5H2,(H,16,18,19)
InChIKeyRQMMYWMJCCAFHA-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.20
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile

2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile (PubChem CID 91259268) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile
PubChem CID91259268
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile
SMILESN#Cc1cccc2c(O)n(C3CCC(=O)NC3=O)cc12
InChIInChI=1S/C14H11N3O3/c15-6-8-2-1-3-9-10(8)7-17(14(9)20)11-4-5-12(18)16-13(11)19/h1-3,7,11,20H,4-5H2,(H,16,18,19)
InChIKeyRQMMYWMJCCAFHA-UHFFFAOYSA-N
XLogP1.20
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(cyanomethyl)phenyl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]urea
CID 123559413
1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile
CID 155194697
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide
CID 91476634
(3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione
CID 91575075
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 91101971
3-(4-bromo-1-oxoisoquinolin-2-yl)piperidine-2,6-dione
CID 175556384
3-(3-methylindol-1-yl)piperidine-2,6-dione
CID 138467080
2-(3-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide
CID 91539022
2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde
CID 174984156
2-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide
CID 91180408
3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione
CID 150148571
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile (CID 91259268) is 2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile is N#Cc1cccc2c(O)n(C3CCC(=O)NC3=O)cc12.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile?
The InChIKey is RQMMYWMJCCAFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c15-6-8-2-1-3-9-10(8)7-17(14(9)20)11-4-5-12(18)16-13(11)19/h1-3,7,11,20H,4-5H2,(H,16,18,19).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile?
2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile has a molecular weight of 269.26 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile is sourced from PubChem (CID 91259268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).