9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

C13H14N2 — CID 59837844

IUPAC9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1ccc2c3c([nH]c2c1)C1CNCC3C1
InChIInChI=1S/C13H14N2/c1-2-4-11-10(3-1)12-8-5-9(7-14-6-8)13(12)15-11/h1-4,8-9,14-15H,5-7H2
InChIKeyGXPJGZDSTMUJBN-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.34
Rot. Bonds

About 9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 59837844) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID59837844
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1ccc2c3c([nH]c2c1)C1CNCC3C1
InChIInChI=1S/C13H14N2/c1-2-4-11-10(3-1)12-8-5-9(7-14-6-8)13(12)15-11/h1-4,8-9,14-15H,5-7H2
InChIKeyGXPJGZDSTMUJBN-UHFFFAOYSA-N
XLogP2.34
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 59837844) is 9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is c1ccc2c3c([nH]c2c1)C1CNCC3C1.
What is the InChIKey of 9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is GXPJGZDSTMUJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-4-11-10(3-1)12-8-5-9(7-14-6-8)13(12)15-11/h1-4,8-9,14-15H,5-7H2.
What are the key properties of 9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 198.27 g/mol, XLogP of 2.34, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 59837844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).