11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

C12H15NO — CID 10219748

IUPAC11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILESOc1ccc2c(c1)C1CNCC(C2)C1
InChIInChI=1S/C12H15NO/c14-11-2-1-9-3-8-4-10(7-13-6-8)12(9)5-11/h1-2,5,8,10,13-14H,3-4,6-7H2
InChIKeyDICOOVAUGLVWQN-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.64
Rot. Bonds

About 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol (PubChem CID 10219748) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
PubChem CID10219748
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILESOc1ccc2c(c1)C1CNCC(C2)C1
InChIInChI=1S/C12H15NO/c14-11-2-1-9-3-8-4-10(7-13-6-8)12(9)5-11/h1-2,5,8,10,13-14H,3-4,6-7H2
InChIKeyDICOOVAUGLVWQN-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The IUPAC name of 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol (CID 10219748) is 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
What is the SMILES notation for 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The canonical SMILES for 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol is Oc1ccc2c(c1)C1CNCC(C2)C1.
What is the InChIKey of 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The InChIKey is DICOOVAUGLVWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-11-2-1-9-3-8-4-10(7-13-6-8)12(9)5-11/h1-2,5,8,10,13-14H,3-4,6-7H2.
What are the key properties of 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol has a molecular weight of 189.26 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 10219748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).