12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene

C20H13N — CID 6451843

IUPAC12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene
SMILESC1=CCc2c3c(ccc2=C1)=c1ccc2ccccc2c1=N3
InChIInChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-7,9-12H,8H2
InChIKeyFZMFRDRGUFGKMG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.28
Rot. Bonds

About 12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene

12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene (PubChem CID 6451843) has the molecular formula C20H13N and a molecular weight of 267.33 g/mol. Its IUPAC name is 12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene.

Molecular Properties

Compound Name12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene
PubChem CID6451843
Molecular FormulaC20H13N
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene
SMILESC1=CCc2c3c(ccc2=C1)=c1ccc2ccccc2c1=N3
InChIInChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-7,9-12H,8H2
InChIKeyFZMFRDRGUFGKMG-UHFFFAOYSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene?
The IUPAC name of 12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene (CID 6451843) is 12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene.
What is the SMILES notation for 12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene?
The canonical SMILES for 12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene is C1=CCc2c3c(ccc2=C1)=c1ccc2ccccc2c1=N3.
What is the InChIKey of 12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene?
The InChIKey is FZMFRDRGUFGKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-7,9-12H,8H2.
What are the key properties of 12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene?
12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene has a molecular weight of 267.33 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaene is sourced from PubChem (CID 6451843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).