2-benzyl-2-azaspiro[3.5]nonane-3,6-dione

C15H17NO2 — CID 14964087

IUPAC2-benzyl-2-azaspiro[3.5]nonane-3,6-dione
SMILESO=C1CCCC2(C1)CN(Cc1ccccc1)C2=O
InChIInChI=1S/C15H17NO2/c17-13-7-4-8-15(9-13)11-16(14(15)18)10-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKeyQIZOVXIZNKZINL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.16
Rot. Bonds2

About 2-benzyl-2-azaspiro[3.5]nonane-3,6-dione

2-benzyl-2-azaspiro[3.5]nonane-3,6-dione (PubChem CID 14964087) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-benzyl-2-azaspiro[3.5]nonane-3,6-dione.

Molecular Properties

Compound Name2-benzyl-2-azaspiro[3.5]nonane-3,6-dione
PubChem CID14964087
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-benzyl-2-azaspiro[3.5]nonane-3,6-dione
SMILESO=C1CCCC2(C1)CN(Cc1ccccc1)C2=O
InChIInChI=1S/C15H17NO2/c17-13-7-4-8-15(9-13)11-16(14(15)18)10-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKeyQIZOVXIZNKZINL-UHFFFAOYSA-N
XLogP2.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-azaspiro[3.5]nonane-3,6-dione?
The IUPAC name of 2-benzyl-2-azaspiro[3.5]nonane-3,6-dione (CID 14964087) is 2-benzyl-2-azaspiro[3.5]nonane-3,6-dione.
What is the SMILES notation for 2-benzyl-2-azaspiro[3.5]nonane-3,6-dione?
The canonical SMILES for 2-benzyl-2-azaspiro[3.5]nonane-3,6-dione is O=C1CCCC2(C1)CN(Cc1ccccc1)C2=O.
What is the InChIKey of 2-benzyl-2-azaspiro[3.5]nonane-3,6-dione?
The InChIKey is QIZOVXIZNKZINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-13-7-4-8-15(9-13)11-16(14(15)18)10-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2.
What are the key properties of 2-benzyl-2-azaspiro[3.5]nonane-3,6-dione?
2-benzyl-2-azaspiro[3.5]nonane-3,6-dione has a molecular weight of 243.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-azaspiro[3.5]nonane-3,6-dione is sourced from PubChem (CID 14964087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).