10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene

C15H15N — CID 123480096

IUPAC10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene
SMILESC1=CC2N=C3CCC=CC34C=CCC(=C1)C24
InChIInChI=1S/C15H15N/c1-2-9-15-10-4-6-11-5-3-7-12(14(11)15)16-13(15)8-1/h2-5,7,9-10,12,14H,1,6,8H2
InChIKeyWPTNMOTUNGFMFY-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.22
Rot. Bonds

About 10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene

10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene (PubChem CID 123480096) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene.

Molecular Properties

Compound Name10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene
PubChem CID123480096
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene
SMILESC1=CC2N=C3CCC=CC34C=CCC(=C1)C24
InChIInChI=1S/C15H15N/c1-2-9-15-10-4-6-11-5-3-7-12(14(11)15)16-13(15)8-1/h2-5,7,9-10,12,14H,1,6,8H2
InChIKeyWPTNMOTUNGFMFY-UHFFFAOYSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene with MolForge

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Related Compounds

16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
CID 90903463
3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline
CID 123552988
(3aR,9aS,9bS)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 134983011
(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 10965517
5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole
CID 15920836
5-[(1R,6S)-7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl]-3,4-dihydro-2H-pyrrole
CID 15939420
2,3,3-Trimethyl-3a,7a-dihydroindole
CID 17797756
6,8,9,10,10a,10b-Hexahydroindolo[4,3-fg]quinoline
CID 54016915
1,2,3,4,8a,9,9a,10a-Octahydroacridine
CID 54052890
2,4,9a,9b-tetrahydro-1H-benzo[e]indole
CID 54265109
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),11,13-hexaene
CID 54509328
2,4,5,5a,9a,9b-hexahydro-1H-benzo[e]indole
CID 57068399

Frequently Asked Questions

What is the IUPAC name of 10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene?
The IUPAC name of 10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene (CID 123480096) is 10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene.
What is the SMILES notation for 10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene?
The canonical SMILES for 10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene is C1=CC2N=C3CCC=CC34C=CCC(=C1)C24.
What is the InChIKey of 10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene?
The InChIKey is WPTNMOTUNGFMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-2-9-15-10-4-6-11-5-3-7-12(14(11)15)16-13(15)8-1/h2-5,7,9-10,12,14H,1,6,8H2.
What are the key properties of 10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene?
10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene has a molecular weight of 209.29 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene is sourced from PubChem (CID 123480096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).