4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C17H16N2O2 — CID 63252742

IUPAC4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2c(c1)CCN2
InChIInChI=1S/C17H16N2O2/c20-16-14-10-1-2-11(7-10)15(14)17(21)19(16)12-3-4-13-9(8-12)5-6-18-13/h1-4,8,10-11,14-15,18H,5-7H2
InChIKeyGGBVVWWGLDFWFH-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.97
Rot. Bonds1

About 4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 63252742) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID63252742
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2c(c1)CCN2
InChIInChI=1S/C17H16N2O2/c20-16-14-10-1-2-11(7-10)15(14)17(21)19(16)12-3-4-13-9(8-12)5-6-18-13/h1-4,8,10-11,14-15,18H,5-7H2
InChIKeyGGBVVWWGLDFWFH-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 63252742) is 4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2c(c1)CCN2.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is GGBVVWWGLDFWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16-14-10-1-2-11(7-10)15(14)17(21)19(16)12-3-4-13-9(8-12)5-6-18-13/h1-4,8,10-11,14-15,18H,5-7H2.
What are the key properties of 4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 280.33 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 63252742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).