8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol

C14H9NO2 — CID 91057853

IUPAC8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol
SMILESOc1[nH]c2c3c(cccc13)Oc1ccccc1-2
InChIInChI=1S/C14H9NO2/c16-14-9-5-3-7-11-12(9)13(15-14)8-4-1-2-6-10(8)17-11/h1-7,15-16H
InChIKeyNDUDTCYJMDPTFL-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.65
Rot. Bonds

About 8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol

8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol (PubChem CID 91057853) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol.

Molecular Properties

Compound Name8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol
PubChem CID91057853
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol
SMILESOc1[nH]c2c3c(cccc13)Oc1ccccc1-2
InChIInChI=1S/C14H9NO2/c16-14-9-5-3-7-11-12(9)13(15-14)8-4-1-2-6-10(8)17-11/h1-7,15-16H
InChIKeyNDUDTCYJMDPTFL-UHFFFAOYSA-N
XLogP3.65
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol?
The IUPAC name of 8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol (CID 91057853) is 8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol.
What is the SMILES notation for 8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol?
The canonical SMILES for 8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol is Oc1[nH]c2c3c(cccc13)Oc1ccccc1-2.
What is the InChIKey of 8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol?
The InChIKey is NDUDTCYJMDPTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-14-9-5-3-7-11-12(9)13(15-14)8-4-1-2-6-10(8)17-11/h1-7,15-16H.
What are the key properties of 8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol?
8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol has a molecular weight of 223.23 g/mol, XLogP of 3.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol is sourced from PubChem (CID 91057853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).