9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C18H11NO — CID 122429677

IUPAC9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc2c(c1)[nH]c1ccc3oc4ccccc4c3c12
InChIInChI=1S/C18H11NO/c1-3-7-13-11(5-1)17-14(19-13)9-10-16-18(17)12-6-2-4-8-15(12)20-16/h1-10,19H
InChIKeyWQPIMPUXOWHPME-UHFFFAOYSA-N
MW257.29 g/mol
LogP5.22
Rot. Bonds

About 9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 122429677) has the molecular formula C18H11NO and a molecular weight of 257.29 g/mol. Its IUPAC name is 9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID122429677
Molecular FormulaC18H11NO
Molecular Weight257.29 g/mol
Exact Mass257.08
IUPAC Name9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc2c(c1)[nH]c1ccc3oc4ccccc4c3c12
InChIInChI=1S/C18H11NO/c1-3-7-13-11(5-1)17-14(19-13)9-10-16-18(17)12-6-2-4-8-15(12)20-16/h1-10,19H
InChIKeyWQPIMPUXOWHPME-UHFFFAOYSA-N
XLogP5.22
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.29
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 122429677) is 9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc2c(c1)[nH]c1ccc3oc4ccccc4c3c12.
What is the InChIKey of 9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is WQPIMPUXOWHPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO/c1-3-7-13-11(5-1)17-14(19-13)9-10-16-18(17)12-6-2-4-8-15(12)20-16/h1-10,19H.
What are the key properties of 9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 257.29 g/mol, XLogP of 5.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 122429677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).