14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene

C14H13NO — CID 101369867

IUPAC14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene
SMILESC1=CC2ON=C3c4ccccc4CC(C1)C32
InChIInChI=1S/C14H13NO/c1-2-6-11-9(4-1)8-10-5-3-7-12-13(10)14(11)15-16-12/h1-4,6-7,10,12-13H,5,8H2
InChIKeyFHAYSODNBMBAMV-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.54
Rot. Bonds

About 14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene

14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene (PubChem CID 101369867) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene.

Molecular Properties

Compound Name14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene
PubChem CID101369867
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene
SMILESC1=CC2ON=C3c4ccccc4CC(C1)C32
InChIInChI=1S/C14H13NO/c1-2-6-11-9(4-1)8-10-5-3-7-12-13(10)14(11)15-16-12/h1-4,6-7,10,12-13H,5,8H2
InChIKeyFHAYSODNBMBAMV-UHFFFAOYSA-N
XLogP2.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene?
The IUPAC name of 14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene (CID 101369867) is 14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene.
What is the SMILES notation for 14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene?
The canonical SMILES for 14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene is C1=CC2ON=C3c4ccccc4CC(C1)C32.
What is the InChIKey of 14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene?
The InChIKey is FHAYSODNBMBAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-2-6-11-9(4-1)8-10-5-3-7-12-13(10)14(11)15-16-12/h1-4,6-7,10,12-13H,5,8H2.
What are the key properties of 14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene?
14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene has a molecular weight of 211.26 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaene is sourced from PubChem (CID 101369867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).