2-azatricyclo[11.7.2.23,11]tetracosan-12-one

C23H41NO — CID 138534164

IUPAC2-azatricyclo[11.7.2.23,11]tetracosan-12-one
SMILESO=C1C2CCCCCCCC(CC2)NC2CCCCCCCC1CC2
InChIInChI=1S/C23H41NO/c25-23-19-11-7-3-1-5-9-13-21(17-15-19)24-22-14-10-6-2-4-8-12-20(23)16-18-22/h19-22,24H,1-18H2
InChIKeyFUSRVTXLHXELOK-UHFFFAOYSA-N
MW347.59 g/mol
LogP6.18
Rot. Bonds

About 2-azatricyclo[11.7.2.23,11]tetracosan-12-one

2-azatricyclo[11.7.2.23,11]tetracosan-12-one (PubChem CID 138534164) has the molecular formula C23H41NO and a molecular weight of 347.59 g/mol. Its IUPAC name is 2-azatricyclo[11.7.2.23,11]tetracosan-12-one.

Molecular Properties

Compound Name2-azatricyclo[11.7.2.23,11]tetracosan-12-one
PubChem CID138534164
Molecular FormulaC23H41NO
Molecular Weight347.59 g/mol
Exact Mass347.32
IUPAC Name2-azatricyclo[11.7.2.23,11]tetracosan-12-one
SMILESO=C1C2CCCCCCCC(CC2)NC2CCCCCCCC1CC2
InChIInChI=1S/C23H41NO/c25-23-19-11-7-3-1-5-9-13-21(17-15-19)24-22-14-10-6-2-4-8-12-20(23)16-18-22/h19-22,24H,1-18H2
InChIKeyFUSRVTXLHXELOK-UHFFFAOYSA-N
XLogP6.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azatricyclo[11.7.2.23,11]tetracosan-12-one?
The IUPAC name of 2-azatricyclo[11.7.2.23,11]tetracosan-12-one (CID 138534164) is 2-azatricyclo[11.7.2.23,11]tetracosan-12-one.
What is the SMILES notation for 2-azatricyclo[11.7.2.23,11]tetracosan-12-one?
The canonical SMILES for 2-azatricyclo[11.7.2.23,11]tetracosan-12-one is O=C1C2CCCCCCCC(CC2)NC2CCCCCCCC1CC2.
What is the InChIKey of 2-azatricyclo[11.7.2.23,11]tetracosan-12-one?
The InChIKey is FUSRVTXLHXELOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO/c25-23-19-11-7-3-1-5-9-13-21(17-15-19)24-22-14-10-6-2-4-8-12-20(23)16-18-22/h19-22,24H,1-18H2.
What are the key properties of 2-azatricyclo[11.7.2.23,11]tetracosan-12-one?
2-azatricyclo[11.7.2.23,11]tetracosan-12-one has a molecular weight of 347.59 g/mol, XLogP of 6.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatricyclo[11.7.2.23,11]tetracosan-12-one is sourced from PubChem (CID 138534164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).