16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene

C15H13N — CID 90903463

IUPAC16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
SMILESC1=CCC2=CC3=NC(C2=C1)C1C=CCC=C31
InChIInChI=1S/C15H13N/c1-2-6-11-10(5-1)9-14-12-7-3-4-8-13(12)15(11)16-14/h1-2,4,6-9,13,15H,3,5H2
InChIKeyWBPKLVRGJOKTHE-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.14
Rot. Bonds

About 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene

16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene (PubChem CID 90903463) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene.

Molecular Properties

Compound Name16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
PubChem CID90903463
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
SMILESC1=CCC2=CC3=NC(C2=C1)C1C=CCC=C31
InChIInChI=1S/C15H13N/c1-2-6-11-10(5-1)9-14-12-7-3-4-8-13(12)15(11)16-14/h1-2,4,6-9,13,15H,3,5H2
InChIKeyWBPKLVRGJOKTHE-UHFFFAOYSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene with MolForge

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Related Compounds

CID 6445873
CID 6445873
Tetrahydro 3h cyclopenta[c]quinoline
CID 66841971
3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline
CID 123552988
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
4-Methyl-5-prop-2-enyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 53778331
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
1,2,9a,10a-Tetrahydroacridine
CID 54486130
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),11,13-hexaene
CID 54509328
4-Methyl-6-(3-methylbut-1-enyl)-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 56635976
1-Methyl-20-azapentacyclo[11.6.1.02,11.05,10.014,19]icosa-2(11),3,6,9,13(20),16,18-heptaene
CID 57037582

Frequently Asked Questions

What is the IUPAC name of 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene?
The IUPAC name of 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene (CID 90903463) is 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene.
What is the SMILES notation for 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene?
The canonical SMILES for 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene is C1=CCC2=CC3=NC(C2=C1)C1C=CCC=C31.
What is the InChIKey of 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene?
The InChIKey is WBPKLVRGJOKTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-2-6-11-10(5-1)9-14-12-7-3-4-8-13(12)15(11)16-14/h1-2,4,6-9,13,15H,3,5H2.
What are the key properties of 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene?
16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene has a molecular weight of 207.28 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene is sourced from PubChem (CID 90903463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).