15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene

C14H13N — CID 171371673

IUPAC15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene
SMILESc1ccc2c3c(ccc2c1)C1CC1CN3
InChIInChI=1S/C14H13N/c1-2-4-11-9(3-1)5-6-12-13-7-10(13)8-15-14(11)12/h1-6,10,13,15H,7-8H2
InChIKeyGGGQIACABWGFBV-UHFFFAOYSA-N
MW195.27 g/mol
LogP3.37
Rot. Bonds

About 15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene

15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene (PubChem CID 171371673) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene.

Molecular Properties

Compound Name15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene
PubChem CID171371673
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene
SMILESc1ccc2c3c(ccc2c1)C1CC1CN3
InChIInChI=1S/C14H13N/c1-2-4-11-9(3-1)5-6-12-13-7-10(13)8-15-14(11)12/h1-6,10,13,15H,7-8H2
InChIKeyGGGQIACABWGFBV-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene?
The IUPAC name of 15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene (CID 171371673) is 15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene.
What is the SMILES notation for 15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene?
The canonical SMILES for 15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene is c1ccc2c3c(ccc2c1)C1CC1CN3.
What is the InChIKey of 15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene?
The InChIKey is GGGQIACABWGFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-2-4-11-9(3-1)5-6-12-13-7-10(13)8-15-14(11)12/h1-6,10,13,15H,7-8H2.
What are the key properties of 15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene?
15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene has a molecular weight of 195.27 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene is sourced from PubChem (CID 171371673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).