6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene

C17H11NO2 — CID 11097328

IUPAC6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene
SMILESc1cc2c3c(cncc3c1)-c1ccc3c(c1C2)OCO3
InChIInChI=1S/C17H11NO2/c1-2-10-6-13-12(4-5-15-17(13)20-9-19-15)14-8-18-7-11(3-1)16(10)14/h1-5,7-8H,6,9H2
InChIKeyVVZJVPOZWLROQX-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.53
Rot. Bonds

About 6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene

6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene (PubChem CID 11097328) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene.

Molecular Properties

Compound Name6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene
PubChem CID11097328
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene
SMILESc1cc2c3c(cncc3c1)-c1ccc3c(c1C2)OCO3
InChIInChI=1S/C17H11NO2/c1-2-10-6-13-12(4-5-15-17(13)20-9-19-15)14-8-18-7-11(3-1)16(10)14/h1-5,7-8H,6,9H2
InChIKeyVVZJVPOZWLROQX-UHFFFAOYSA-N
XLogP3.53
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene?
The IUPAC name of 6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene (CID 11097328) is 6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene.
What is the SMILES notation for 6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene?
The canonical SMILES for 6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene is c1cc2c3c(cncc3c1)-c1ccc3c(c1C2)OCO3.
What is the InChIKey of 6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene?
The InChIKey is VVZJVPOZWLROQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c1-2-10-6-13-12(4-5-15-17(13)20-9-19-15)14-8-18-7-11(3-1)16(10)14/h1-5,7-8H,6,9H2.
What are the key properties of 6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene?
6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene has a molecular weight of 261.28 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dioxa-18-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),3,5(9),12,14,16,18-octaene is sourced from PubChem (CID 11097328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).