10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol

C12H9NO — CID 22065877

IUPAC10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol
SMILESOc1ccc2c(c1)=C1C=CN=C(C=2)C1
InChIInChI=1S/C12H9NO/c14-11-2-1-8-5-10-6-9(3-4-13-10)12(8)7-11/h1-5,7,14H,6H2
InChIKeyOTNPSICPUSKNND-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.70
Rot. Bonds

About 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol

10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol (PubChem CID 22065877) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol.

Molecular Properties

Compound Name10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol
PubChem CID22065877
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol
SMILESOc1ccc2c(c1)=C1C=CN=C(C=2)C1
InChIInChI=1S/C12H9NO/c14-11-2-1-8-5-10-6-9(3-4-13-10)12(8)7-11/h1-5,7,14H,6H2
InChIKeyOTNPSICPUSKNND-UHFFFAOYSA-N
XLogP0.70
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol?
The IUPAC name of 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol (CID 22065877) is 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol.
What is the SMILES notation for 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol?
The canonical SMILES for 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol is Oc1ccc2c(c1)=C1C=CN=C(C=2)C1.
What is the InChIKey of 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol?
The InChIKey is OTNPSICPUSKNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c14-11-2-1-8-5-10-6-9(3-4-13-10)12(8)7-11/h1-5,7,14H,6H2.
What are the key properties of 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol?
10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol has a molecular weight of 183.21 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol is sourced from PubChem (CID 22065877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).