4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol

C14H11NO2 — CID 70153323

IUPAC4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol
SMILESOc1cccc2c1c1cccc3c1n2CCO3
InChIInChI=1S/C14H11NO2/c16-11-5-2-4-10-13(11)9-3-1-6-12-14(9)15(10)7-8-17-12/h1-6,16H,7-8H2
InChIKeyCYXFCAHKVZNNFR-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.89
Rot. Bonds

About 4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol

4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol (PubChem CID 70153323) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol.

Molecular Properties

Compound Name4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol
PubChem CID70153323
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol
SMILESOc1cccc2c1c1cccc3c1n2CCO3
InChIInChI=1S/C14H11NO2/c16-11-5-2-4-10-13(11)9-3-1-6-12-14(9)15(10)7-8-17-12/h1-6,16H,7-8H2
InChIKeyCYXFCAHKVZNNFR-UHFFFAOYSA-N
XLogP2.89
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol?
The IUPAC name of 4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol (CID 70153323) is 4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol.
What is the SMILES notation for 4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol?
The canonical SMILES for 4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol is Oc1cccc2c1c1cccc3c1n2CCO3.
What is the InChIKey of 4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol?
The InChIKey is CYXFCAHKVZNNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-11-5-2-4-10-13(11)9-3-1-6-12-14(9)15(10)7-8-17-12/h1-6,16H,7-8H2.
What are the key properties of 4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol?
4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol has a molecular weight of 225.25 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-ol is sourced from PubChem (CID 70153323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).