3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene

C14H11N — CID 57322998

IUPAC3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene
SMILESC1=CC2=CCC=NC2=c2ccccc2=C1
InChIInChI=1S/C14H11N/c1-2-9-13-11(5-1)6-3-7-12-8-4-10-15-14(12)13/h1-3,5-10H,4H2
InChIKeyBWWJBSIIEDFLQT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.55
Rot. Bonds

About 3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene

3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene (PubChem CID 57322998) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene.

Molecular Properties

Compound Name3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene
PubChem CID57322998
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene
SMILESC1=CC2=CCC=NC2=c2ccccc2=C1
InChIInChI=1S/C14H11N/c1-2-9-13-11(5-1)6-3-7-12-8-4-10-15-14(12)13/h1-3,5-10H,4H2
InChIKeyBWWJBSIIEDFLQT-UHFFFAOYSA-N
XLogP1.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene with MolForge

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

Launch Full Analysis

Related Compounds

Tetrahydroquinoline
CID 94356
Monoazabiphenylene
CID 12200782
8-Lithioquinoline
CID 12575023
2H-1,4-Benzodiazepine
CID 21162934
Pyrrolo[2,3-a]carbazole
CID 21887182
3,4,5,6-Tetrahydroquinoline
CID 54214651
6h,7h-Quinoline
CID 67835501
Diethylideneaniline
CID 70417807
Dihydrodibenzazepine
CID 87126010
Isoindolobenzazepine
CID 87266485
Cycloheptindole
CID 87491806
Bis-propylideneaniline
CID 129791915

Frequently Asked Questions

What is the IUPAC name of 3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene?
The IUPAC name of 3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene (CID 57322998) is 3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene.
What is the SMILES notation for 3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene?
The canonical SMILES for 3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene is C1=CC2=CCC=NC2=c2ccccc2=C1.
What is the InChIKey of 3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene?
The InChIKey is BWWJBSIIEDFLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-2-9-13-11(5-1)6-3-7-12-8-4-10-15-14(12)13/h1-3,5-10H,4H2.
What are the key properties of 3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene?
3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene has a molecular weight of 193.25 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaene is sourced from PubChem (CID 57322998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).