6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile

C21H15N3O2 — CID 18944260

IUPAC6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile
SMILESN#Cc1ccc2[nH]c3c(c2c1)CC(N1C(=O)c2ccccc2C1=O)CC3
InChIInChI=1S/C21H15N3O2/c22-11-12-5-7-18-16(9-12)17-10-13(6-8-19(17)23-18)24-20(25)14-3-1-2-4-15(14)21(24)26/h1-5,7,9,13,23H,6,8,10H2
InChIKeyZTGANYFYBANFDE-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.19
Rot. Bonds1

About 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile

6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile (PubChem CID 18944260) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile
PubChem CID18944260
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile
SMILESN#Cc1ccc2[nH]c3c(c2c1)CC(N1C(=O)c2ccccc2C1=O)CC3
InChIInChI=1S/C21H15N3O2/c22-11-12-5-7-18-16(9-12)17-10-13(6-8-19(17)23-18)24-20(25)14-3-1-2-4-15(14)21(24)26/h1-5,7,9,13,23H,6,8,10H2
InChIKeyZTGANYFYBANFDE-UHFFFAOYSA-N
XLogP3.19
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile (CID 18944260) is 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile is N#Cc1ccc2[nH]c3c(c2c1)CC(N1C(=O)c2ccccc2C1=O)CC3.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile?
The InChIKey is ZTGANYFYBANFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c22-11-12-5-7-18-16(9-12)17-10-13(6-8-19(17)23-18)24-20(25)14-3-1-2-4-15(14)21(24)26/h1-5,7,9,13,23H,6,8,10H2.
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile?
6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile is sourced from PubChem (CID 18944260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).