13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

C16H11N — CID 155378227

IUPAC13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
SMILESCc1cc2c(cn1)-c1cccc3cccc-2c13
InChIInChI=1S/C16H11N/c1-10-8-14-12-6-2-4-11-5-3-7-13(16(11)12)15(14)9-17-10/h2-9H,1H3
InChIKeyUXNXZEVQZAUONI-UHFFFAOYSA-N
MW217.27 g/mol
LogP4.19
Rot. Bonds

About 13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (PubChem CID 155378227) has the molecular formula C16H11N and a molecular weight of 217.27 g/mol. Its IUPAC name is 13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.

Molecular Properties

Compound Name13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
PubChem CID155378227
Molecular FormulaC16H11N
Molecular Weight217.27 g/mol
Exact Mass217.09
IUPAC Name13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
SMILESCc1cc2c(cn1)-c1cccc3cccc-2c13
InChIInChI=1S/C16H11N/c1-10-8-14-12-6-2-4-11-5-3-7-13(16(11)12)15(14)9-17-10/h2-9H,1H3
InChIKeyUXNXZEVQZAUONI-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The IUPAC name of 13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (CID 155378227) is 13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.
What is the SMILES notation for 13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The canonical SMILES for 13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is Cc1cc2c(cn1)-c1cccc3cccc-2c13.
What is the InChIKey of 13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The InChIKey is UXNXZEVQZAUONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N/c1-10-8-14-12-6-2-4-11-5-3-7-13(16(11)12)15(14)9-17-10/h2-9H,1H3.
What are the key properties of 13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene has a molecular weight of 217.27 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is sourced from PubChem (CID 155378227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).