6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one

C15H17NO2 — CID 59837824

IUPAC6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
SMILESC=CCN1CC2CC(C1)c1cccc(O)c1C2=O
InChIInChI=1S/C15H17NO2/c1-2-6-16-8-10-7-11(9-16)15(18)14-12(10)4-3-5-13(14)17/h2-5,10-11,17H,1,6-9H2
InChIKeyBOCVGPAKWPLALQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.18
Rot. Bonds2

About 6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one

6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one (PubChem CID 59837824) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one.

Molecular Properties

Compound Name6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
PubChem CID59837824
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
SMILESC=CCN1CC2CC(C1)c1cccc(O)c1C2=O
InChIInChI=1S/C15H17NO2/c1-2-6-16-8-10-7-11(9-16)15(18)14-12(10)4-3-5-13(14)17/h2-5,10-11,17H,1,6-9H2
InChIKeyBOCVGPAKWPLALQ-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one?
The IUPAC name of 6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one (CID 59837824) is 6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one.
What is the SMILES notation for 6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one?
The canonical SMILES for 6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one is C=CCN1CC2CC(C1)c1cccc(O)c1C2=O.
What is the InChIKey of 6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one?
The InChIKey is BOCVGPAKWPLALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-6-16-8-10-7-11(9-16)15(18)14-12(10)4-3-5-13(14)17/h2-5,10-11,17H,1,6-9H2.
What are the key properties of 6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one?
6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one has a molecular weight of 243.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one is sourced from PubChem (CID 59837824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).