17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione

C16H17NO2 — CID 603630

IUPAC17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione
SMILESO=C1CCC23CC(=O)NC2(CCc2ccccc23)C1
InChIInChI=1S/C16H17NO2/c18-12-6-7-15-10-14(19)17-16(15,9-12)8-5-11-3-1-2-4-13(11)15/h1-4H,5-10H2,(H,17,19)
InChIKeyAVJGVDRIOPSANM-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.88
Rot. Bonds

About 17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione

17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione (PubChem CID 603630) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione.

Molecular Properties

Compound Name17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione
PubChem CID603630
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione
SMILESO=C1CCC23CC(=O)NC2(CCc2ccccc23)C1
InChIInChI=1S/C16H17NO2/c18-12-6-7-15-10-14(19)17-16(15,9-12)8-5-11-3-1-2-4-13(11)15/h1-4H,5-10H2,(H,17,19)
InChIKeyAVJGVDRIOPSANM-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione?
The IUPAC name of 17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione (CID 603630) is 17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione.
What is the SMILES notation for 17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione?
The canonical SMILES for 17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione is O=C1CCC23CC(=O)NC2(CCc2ccccc23)C1.
What is the InChIKey of 17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione?
The InChIKey is AVJGVDRIOPSANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-12-6-7-15-10-14(19)17-16(15,9-12)8-5-11-3-1-2-4-13(11)15/h1-4H,5-10H2,(H,17,19).
What are the key properties of 17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione?
17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione has a molecular weight of 255.32 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione is sourced from PubChem (CID 603630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).