1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone

C17H17NO — CID 71605277

IUPAC1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone
SMILESCC(=O)c1nc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C17H17NO/c1-12(19)17-15-8-6-13-2-4-14(5-3-13)7-10-16(18-17)11-9-15/h2-5,9,11H,6-8,10H2,1H3
InChIKeyFUJHNGOSBAKRJG-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.17
Rot. Bonds1

About 1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone

1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone (PubChem CID 71605277) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone.

Molecular Properties

Compound Name1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone
PubChem CID71605277
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone
SMILESCC(=O)c1nc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C17H17NO/c1-12(19)17-15-8-6-13-2-4-14(5-3-13)7-10-16(18-17)11-9-15/h2-5,9,11H,6-8,10H2,1H3
InChIKeyFUJHNGOSBAKRJG-UHFFFAOYSA-N
XLogP3.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone?
The IUPAC name of 1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone (CID 71605277) is 1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone.
What is the SMILES notation for 1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone?
The canonical SMILES for 1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone is CC(=O)c1nc2ccc1CCc1ccc(cc1)CC2.
What is the InChIKey of 1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone?
The InChIKey is FUJHNGOSBAKRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12(19)17-15-8-6-13-2-4-14(5-3-13)7-10-16(18-17)11-9-15/h2-5,9,11H,6-8,10H2,1H3.
What are the key properties of 1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone?
1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone has a molecular weight of 251.33 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azatricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-6-yl)ethanone is sourced from PubChem (CID 71605277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).