1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol

C13H17NO — CID 3063553

IUPAC1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol
SMILESOCc1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C13H17NO/c15-9-10-7-11-3-1-5-14-6-2-4-12(8-10)13(11)14/h7-8,15H,1-6,9H2
InChIKeyOTRHTQIEJBKBAT-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.88
Rot. Bonds1

About 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol

1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol (PubChem CID 3063553) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol.

Molecular Properties

Compound Name1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol
PubChem CID3063553
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol
SMILESOCc1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C13H17NO/c15-9-10-7-11-3-1-5-14-6-2-4-12(8-10)13(11)14/h7-8,15H,1-6,9H2
InChIKeyOTRHTQIEJBKBAT-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol?
The IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol (CID 3063553) is 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol.
What is the SMILES notation for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol?
The canonical SMILES for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol is OCc1cc2c3c(c1)CCCN3CCC2.
What is the InChIKey of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol?
The InChIKey is OTRHTQIEJBKBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-9-10-7-11-3-1-5-14-6-2-4-12(8-10)13(11)14/h7-8,15H,1-6,9H2.
What are the key properties of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol?
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol has a molecular weight of 203.28 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol is sourced from PubChem (CID 3063553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).