2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione

C16H13NO4 — CID 21018872

IUPAC2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
SMILESCN1C2=C(C(=O)OC2)C(c2ccccc2)C2=C1COC2=O
InChIInChI=1S/C16H13NO4/c1-17-10-7-20-15(18)13(10)12(9-5-3-2-4-6-9)14-11(17)8-21-16(14)19/h2-6,12H,7-8H2,1H3
InChIKeyZPZLCGZRGYJZQD-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.34
Rot. Bonds1

About 2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione

2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione (PubChem CID 21018872) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione.

Molecular Properties

Compound Name2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
PubChem CID21018872
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
SMILESCN1C2=C(C(=O)OC2)C(c2ccccc2)C2=C1COC2=O
InChIInChI=1S/C16H13NO4/c1-17-10-7-20-15(18)13(10)12(9-5-3-2-4-6-9)14-11(17)8-21-16(14)19/h2-6,12H,7-8H2,1H3
InChIKeyZPZLCGZRGYJZQD-UHFFFAOYSA-N
XLogP1.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The IUPAC name of 2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione (CID 21018872) is 2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione.
What is the SMILES notation for 2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The canonical SMILES for 2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione is CN1C2=C(C(=O)OC2)C(c2ccccc2)C2=C1COC2=O.
What is the InChIKey of 2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The InChIKey is ZPZLCGZRGYJZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-17-10-7-20-15(18)13(10)12(9-5-3-2-4-6-9)14-11(17)8-21-16(14)19/h2-6,12H,7-8H2,1H3.
What are the key properties of 2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione has a molecular weight of 283.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione is sourced from PubChem (CID 21018872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).