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

C21H17N3O3 — CID 45356874

IUPAC6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESNC(=O)c1ccc2[nH]c3c(c2c1)CC(N1C(=O)c2ccccc2C1=O)CC3
InChIInChI=1S/C21H17N3O3/c22-19(25)11-5-7-17-15(9-11)16-10-12(6-8-18(16)23-17)24-20(26)13-3-1-2-4-14(13)21(24)27/h1-5,7,9,12,23H,6,8,10H2,(H2,22,25)
InChIKeyHIQGUDQQRHCGQB-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.42
Rot. Bonds2

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

6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 45356874) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID45356874
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESNC(=O)c1ccc2[nH]c3c(c2c1)CC(N1C(=O)c2ccccc2C1=O)CC3
InChIInChI=1S/C21H17N3O3/c22-19(25)11-5-7-17-15(9-11)16-10-12(6-8-18(16)23-17)24-20(26)13-3-1-2-4-14(13)21(24)27/h1-5,7,9,12,23H,6,8,10H2,(H2,22,25)
InChIKeyHIQGUDQQRHCGQB-UHFFFAOYSA-N
XLogP2.42
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
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-carboxamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 45356874) is 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is NC(=O)c1ccc2[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-carboxamide?
The InChIKey is HIQGUDQQRHCGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c22-19(25)11-5-7-17-15(9-11)16-10-12(6-8-18(16)23-17)24-20(26)13-3-1-2-4-14(13)21(24)27/h1-5,7,9,12,23H,6,8,10H2,(H2,22,25).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
6-(1,3-dioxoisoindol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 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-carboxamide is sourced from PubChem (CID 45356874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).