14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene

C19H15NO — CID 164576221

IUPAC14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene
SMILESc1ccc2c(c1)nc1cc3oc4c(cc3cc12)CCCC4
InChIInChI=1S/C19H15NO/c1-4-8-18-12(5-1)9-13-10-15-14-6-2-3-7-16(14)20-17(15)11-19(13)21-18/h2-3,6-7,9-11H,1,4-5,8H2
InChIKeyLFTKBSZYJGPNTA-UHFFFAOYSA-N
MW273.33 g/mol
LogP5.01
Rot. Bonds

About 14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene

14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene (PubChem CID 164576221) has the molecular formula C19H15NO and a molecular weight of 273.33 g/mol. Its IUPAC name is 14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene.

Molecular Properties

Compound Name14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene
PubChem CID164576221
Molecular FormulaC19H15NO
Molecular Weight273.33 g/mol
Exact Mass273.12
IUPAC Name14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene
SMILESc1ccc2c(c1)nc1cc3oc4c(cc3cc12)CCCC4
InChIInChI=1S/C19H15NO/c1-4-8-18-12(5-1)9-13-10-15-14-6-2-3-7-16(14)20-17(15)11-19(13)21-18/h2-3,6-7,9-11H,1,4-5,8H2
InChIKeyLFTKBSZYJGPNTA-UHFFFAOYSA-N
XLogP5.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.33
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene?
The IUPAC name of 14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene (CID 164576221) is 14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene.
What is the SMILES notation for 14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene?
The canonical SMILES for 14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene is c1ccc2c(c1)nc1cc3oc4c(cc3cc12)CCCC4.
What is the InChIKey of 14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene?
The InChIKey is LFTKBSZYJGPNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c1-4-8-18-12(5-1)9-13-10-15-14-6-2-3-7-16(14)20-17(15)11-19(13)21-18/h2-3,6-7,9-11H,1,4-5,8H2.
What are the key properties of 14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene?
14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene has a molecular weight of 273.33 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,12,15(20)-octaene is sourced from PubChem (CID 164576221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).