10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene

C16H11N — CID 87394384

IUPAC10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=CC2=c3cc4ccccc4nc3=CC(=C1)C2
InChIInChI=1S/C16H11N/c1-2-7-15-13(5-1)10-14-12-6-3-4-11(8-12)9-16(14)17-15/h1-7,9-10H,8H2
InChIKeyWRVPNCLTHWDFHN-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.07
Rot. Bonds

About 10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene

10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 87394384) has the molecular formula C16H11N and a molecular weight of 217.27 g/mol. Its IUPAC name is 10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID87394384
Molecular FormulaC16H11N
Molecular Weight217.27 g/mol
Exact Mass217.09
IUPAC Name10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=CC2=c3cc4ccccc4nc3=CC(=C1)C2
InChIInChI=1S/C16H11N/c1-2-7-15-13(5-1)10-14-12-6-3-4-11(8-12)9-16(14)17-15/h1-7,9-10H,8H2
InChIKeyWRVPNCLTHWDFHN-UHFFFAOYSA-N
XLogP2.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene 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 10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 87394384) is 10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene is C1=CC2=c3cc4ccccc4nc3=CC(=C1)C2.
What is the InChIKey of 10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is WRVPNCLTHWDFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N/c1-2-7-15-13(5-1)10-14-12-6-3-4-11(8-12)9-16(14)17-15/h1-7,9-10H,8H2.
What are the key properties of 10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene?
10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 217.27 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 87394384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).