1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile

C17H11N3O3 — CID 155194697

IUPAC1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile
SMILESN#Cc1ccc2c3c(cccc13)C(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C17H11N3O3/c18-8-9-4-5-12-15-10(9)2-1-3-11(15)17(23)20(12)13-6-7-14(21)19-16(13)22/h1-5,13H,6-7H2,(H,19,21,22)
InChIKeyJGUUZMWHXFBMJF-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.48
Rot. Bonds1

About 1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile

1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile (PubChem CID 155194697) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is 1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile.

Molecular Properties

Compound Name1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile
PubChem CID155194697
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC Name1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile
SMILESN#Cc1ccc2c3c(cccc13)C(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C17H11N3O3/c18-8-9-4-5-12-15-10(9)2-1-3-11(15)17(23)20(12)13-6-7-14(21)19-16(13)22/h1-5,13H,6-7H2,(H,19,21,22)
InChIKeyJGUUZMWHXFBMJF-UHFFFAOYSA-N
XLogP1.48
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.48
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

3-(2-oxo-5-sulfanylbenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 163258587
4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]benzaldehyde
CID 155195102
3-[2-oxo-6-(pyridin-2-ylamino)benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155710559
3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163259069
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
3-(4-methyl-9-oxo-4,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1,6,8(15),11,13-pentaen-10-yl)piperidine-2,6-dione
CID 170415929
3-[2-oxo-6-(2H-triazol-4-ylsulfanyl)benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155710450
3-[9-[hydroxy(phenyl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 155710760
3-[5-[(1-chloroazetidin-3-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 169102169
4-[4-[(Z)-1-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]-3-fluorophenyl]-2-hydroxyethenyl]piperazin-1-yl]-3-fluorobenzonitrile
CID 177335003

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile?
The IUPAC name of 1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile (CID 155194697) is 1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile.
What is the SMILES notation for 1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile?
The canonical SMILES for 1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile is N#Cc1ccc2c3c(cccc13)C(=O)N2C1CCC(=O)NC1=O.
What is the InChIKey of 1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile?
The InChIKey is JGUUZMWHXFBMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c18-8-9-4-5-12-15-10(9)2-1-3-11(15)17(23)20(12)13-6-7-14(21)19-16(13)22/h1-5,13H,6-7H2,(H,19,21,22).
What are the key properties of 1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile?
1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile has a molecular weight of 305.29 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile is sourced from PubChem (CID 155194697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).