11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene

C13H11N — CID 57063162

IUPAC11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene
SMILESc1cc2c3c(cccc3c1)C1NC1C2
InChIInChI=1S/C13H11N/c1-3-8-4-2-6-10-12(8)9(5-1)7-11-13(10)14-11/h1-6,11,13-14H,7H2
InChIKeyMLAMLLGGTLVDOW-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.41
Rot. Bonds

About 11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene

11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene (PubChem CID 57063162) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene.

Molecular Properties

Compound Name11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene
PubChem CID57063162
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene
SMILESc1cc2c3c(cccc3c1)C1NC1C2
InChIInChI=1S/C13H11N/c1-3-8-4-2-6-10-12(8)9(5-1)7-11-13(10)14-11/h1-6,11,13-14H,7H2
InChIKeyMLAMLLGGTLVDOW-UHFFFAOYSA-N
XLogP2.41
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene?
The IUPAC name of 11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene (CID 57063162) is 11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene.
What is the SMILES notation for 11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene?
The canonical SMILES for 11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene is c1cc2c3c(cccc3c1)C1NC1C2.
What is the InChIKey of 11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene?
The InChIKey is MLAMLLGGTLVDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-3-8-4-2-6-10-12(8)9(5-1)7-11-13(10)14-11/h1-6,11,13-14H,7H2.
What are the key properties of 11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene?
11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene has a molecular weight of 181.24 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene is sourced from PubChem (CID 57063162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).