10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one

C18H23NO — CID 135033836

IUPAC10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one
SMILESO=C1CC2(CCCCC2)CNC=C1Cc1ccccc1
InChIInChI=1S/C18H23NO/c20-17-12-18(9-5-2-6-10-18)14-19-13-16(17)11-15-7-3-1-4-8-15/h1,3-4,7-8,13,19H,2,5-6,9-12,14H2
InChIKeyVPXSTFUQNYYFCE-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.63
Rot. Bonds2

About 10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one

10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one (PubChem CID 135033836) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one.

Molecular Properties

Compound Name10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one
PubChem CID135033836
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one
SMILESO=C1CC2(CCCCC2)CNC=C1Cc1ccccc1
InChIInChI=1S/C18H23NO/c20-17-12-18(9-5-2-6-10-18)14-19-13-16(17)11-15-7-3-1-4-8-15/h1,3-4,7-8,13,19H,2,5-6,9-12,14H2
InChIKeyVPXSTFUQNYYFCE-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one?
The IUPAC name of 10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one (CID 135033836) is 10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one.
What is the SMILES notation for 10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one?
The canonical SMILES for 10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one is O=C1CC2(CCCCC2)CNC=C1Cc1ccccc1.
What is the InChIKey of 10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one?
The InChIKey is VPXSTFUQNYYFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-17-12-18(9-5-2-6-10-18)14-19-13-16(17)11-15-7-3-1-4-8-15/h1,3-4,7-8,13,19H,2,5-6,9-12,14H2.
What are the key properties of 10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one?
10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one has a molecular weight of 269.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-8-azaspiro[5.6]dodec-9-en-11-one is sourced from PubChem (CID 135033836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).