8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione

C15H8ClNO4 — CID 3078178

IUPAC8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione
SMILESO=C1OCc2nc3c(c(-c4ccccc4Cl)c21)C(=O)OC3
InChIInChI=1S/C15H8ClNO4/c16-8-4-2-1-3-7(8)11-12-9(5-20-14(12)18)17-10-6-21-15(19)13(10)11/h1-4H,5-6H2
InChIKeyZDNIUVYCENGFAN-UHFFFAOYSA-N
MW301.68 g/mol
LogP2.74
Rot. Bonds1

About 8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione

8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione (PubChem CID 3078178) has the molecular formula C15H8ClNO4 and a molecular weight of 301.68 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione.

Molecular Properties

Compound Name8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione
PubChem CID3078178
Molecular FormulaC15H8ClNO4
Molecular Weight301.68 g/mol
Exact Mass301.01
IUPAC Name8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione
SMILESO=C1OCc2nc3c(c(-c4ccccc4Cl)c21)C(=O)OC3
InChIInChI=1S/C15H8ClNO4/c16-8-4-2-1-3-7(8)11-12-9(5-20-14(12)18)17-10-6-21-15(19)13(10)11/h1-4H,5-6H2
InChIKeyZDNIUVYCENGFAN-UHFFFAOYSA-N
XLogP2.74
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.68
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione?
The IUPAC name of 8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione (CID 3078178) is 8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione.
What is the SMILES notation for 8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione?
The canonical SMILES for 8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione is O=C1OCc2nc3c(c(-c4ccccc4Cl)c21)C(=O)OC3.
What is the InChIKey of 8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione?
The InChIKey is ZDNIUVYCENGFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClNO4/c16-8-4-2-1-3-7(8)11-12-9(5-20-14(12)18)17-10-6-21-15(19)13(10)11/h1-4H,5-6H2.
What are the key properties of 8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione?
8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione has a molecular weight of 301.68 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione is sourced from PubChem (CID 3078178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).