7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione

C14H11NO2 — CID 57182742

IUPAC7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione
SMILESO=C1C=CC2C(=O)c3ccccc3C=CC2N1
InChIInChI=1S/C14H11NO2/c16-13-8-6-11-12(15-13)7-5-9-3-1-2-4-10(9)14(11)17/h1-8,11-12H,(H,15,16)
InChIKeyLDQKOERWZWHNJP-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.57
Rot. Bonds

About 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione

7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione (PubChem CID 57182742) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione.

Molecular Properties

Compound Name7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione
PubChem CID57182742
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione
SMILESO=C1C=CC2C(=O)c3ccccc3C=CC2N1
InChIInChI=1S/C14H11NO2/c16-13-8-6-11-12(15-13)7-5-9-3-1-2-4-10(9)14(11)17/h1-8,11-12H,(H,15,16)
InChIKeyLDQKOERWZWHNJP-UHFFFAOYSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione?
The IUPAC name of 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione (CID 57182742) is 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione.
What is the SMILES notation for 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione?
The canonical SMILES for 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione is O=C1C=CC2C(=O)c3ccccc3C=CC2N1.
What is the InChIKey of 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione?
The InChIKey is LDQKOERWZWHNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-13-8-6-11-12(15-13)7-5-9-3-1-2-4-10(9)14(11)17/h1-8,11-12H,(H,15,16).
What are the key properties of 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione?
7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione has a molecular weight of 225.25 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),4,9,11,13-pentaene-2,6-dione is sourced from PubChem (CID 57182742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).