2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene

C15H15N — CID 91470912

IUPAC2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene
SMILESC1=CC2=CN3C(=C4C=CC3CC4)C=C2CC1
InChIInChI=1S/C15H15N/c1-2-4-13-10-16-14-7-5-11(6-8-14)15(16)9-12(13)3-1/h2,4-5,7,9-10,14H,1,3,6,8H2
InChIKeyQEUHWUHBOPDTBA-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.45
Rot. Bonds

About 2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene

2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene (PubChem CID 91470912) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene.

Molecular Properties

Compound Name2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene
PubChem CID91470912
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene
SMILESC1=CC2=CN3C(=C4C=CC3CC4)C=C2CC1
InChIInChI=1S/C15H15N/c1-2-4-13-10-16-14-7-5-11(6-8-14)15(16)9-12(13)3-1/h2,4-5,7,9-10,14H,1,3,6,8H2
InChIKeyQEUHWUHBOPDTBA-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene?
The IUPAC name of 2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene (CID 91470912) is 2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene.
What is the SMILES notation for 2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene?
The canonical SMILES for 2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene is C1=CC2=CN3C(=C4C=CC3CC4)C=C2CC1.
What is the InChIKey of 2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene?
The InChIKey is QEUHWUHBOPDTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-2-4-13-10-16-14-7-5-11(6-8-14)15(16)9-12(13)3-1/h2,4-5,7,9-10,14H,1,3,6,8H2.
What are the key properties of 2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene?
2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene has a molecular weight of 209.29 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene is sourced from PubChem (CID 91470912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).