1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene

C14H13N — CID 129074523

IUPAC1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene
SMILESC1=CC2c3ccccc3C3CC3N2C=C1
InChIInChI=1S/C14H13N/c1-2-6-11-10(5-1)12-9-14(12)15-8-4-3-7-13(11)15/h1-8,12-14H,9H2
InChIKeyJFJCZCYUGGAHCA-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.98
Rot. Bonds

About 1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene

1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene (PubChem CID 129074523) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene.

Molecular Properties

Compound Name1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene
PubChem CID129074523
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene
SMILESC1=CC2c3ccccc3C3CC3N2C=C1
InChIInChI=1S/C14H13N/c1-2-6-11-10(5-1)12-9-14(12)15-8-4-3-7-13(11)15/h1-8,12-14H,9H2
InChIKeyJFJCZCYUGGAHCA-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene?
The IUPAC name of 1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene (CID 129074523) is 1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene.
What is the SMILES notation for 1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene?
The canonical SMILES for 1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene is C1=CC2c3ccccc3C3CC3N2C=C1.
What is the InChIKey of 1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene?
The InChIKey is JFJCZCYUGGAHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-2-6-11-10(5-1)12-9-14(12)15-8-4-3-7-13(11)15/h1-8,12-14H,9H2.
What are the key properties of 1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene?
1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene has a molecular weight of 195.27 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,12,14-pentaene is sourced from PubChem (CID 129074523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).