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

C18H17NO2 — CID 3241655

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17NO2/c20-17-15-12-4-5-13(8-12)16(15)18(21)19(17)14-7-6-10-2-1-3-11(10)9-14/h4-7,9,12-13,15-16H,1-3,8H2
InChIKeyOIGLKLBQKFGQRG-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.49
Rot. Bonds1

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

4-(2,3-dihydro-1H-inden-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 3241655) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID3241655
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17NO2/c20-17-15-12-4-5-13(8-12)16(15)18(21)19(17)14-7-6-10-2-1-3-11(10)9-14/h4-7,9,12-13,15-16H,1-3,8H2
InChIKeyOIGLKLBQKFGQRG-UHFFFAOYSA-N
XLogP2.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-inden-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 3241655) is 4-(2,3-dihydro-1H-inden-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-inden-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is OIGLKLBQKFGQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-17-15-12-4-5-13(8-12)16(15)18(21)19(17)14-7-6-10-2-1-3-11(10)9-14/h4-7,9,12-13,15-16H,1-3,8H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-(2,3-dihydro-1H-inden-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 279.34 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 3241655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).