7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione

C10H6ClNO4 — CID 54115167

IUPAC7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione
SMILESO=c1oc(=O)n2c3c(cc(Cl)cc13)OCC2
InChIInChI=1S/C10H6ClNO4/c11-5-3-6-8-7(4-5)15-2-1-12(8)10(14)16-9(6)13/h3-4H,1-2H2
InChIKeyNJVHPCCSTLVQPL-UHFFFAOYSA-N
MW239.61 g/mol
LogP1.00
Rot. Bonds

About 7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione

7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione (PubChem CID 54115167) has the molecular formula C10H6ClNO4 and a molecular weight of 239.61 g/mol. Its IUPAC name is 7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione.

Molecular Properties

Compound Name7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione
PubChem CID54115167
Molecular FormulaC10H6ClNO4
Molecular Weight239.61 g/mol
Exact Mass239.00
IUPAC Name7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione
SMILESO=c1oc(=O)n2c3c(cc(Cl)cc13)OCC2
InChIInChI=1S/C10H6ClNO4/c11-5-3-6-8-7(4-5)15-2-1-12(8)10(14)16-9(6)13/h3-4H,1-2H2
InChIKeyNJVHPCCSTLVQPL-UHFFFAOYSA-N
XLogP1.00
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.61
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione?
The IUPAC name of 7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione (CID 54115167) is 7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione.
What is the SMILES notation for 7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione?
The canonical SMILES for 7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione is O=c1oc(=O)n2c3c(cc(Cl)cc13)OCC2.
What is the InChIKey of 7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione?
The InChIKey is NJVHPCCSTLVQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO4/c11-5-3-6-8-7(4-5)15-2-1-12(8)10(14)16-9(6)13/h3-4H,1-2H2.
What are the key properties of 7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione?
7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione has a molecular weight of 239.61 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione is sourced from PubChem (CID 54115167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).