8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione

C16H17NO3 — CID 14615266

IUPAC8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione
SMILESO=C1NC(Cc2ccccc2)=C(O)C(=O)C12CCCC2
InChIInChI=1S/C16H17NO3/c18-13-12(10-11-6-2-1-3-7-11)17-15(20)16(14(13)19)8-4-5-9-16/h1-3,6-7,18H,4-5,8-10H2,(H,17,20)
InChIKeyUUPJALNGUDADNZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.26
Rot. Bonds2

About 8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione

8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione (PubChem CID 14615266) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione.

Molecular Properties

Compound Name8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione
PubChem CID14615266
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione
SMILESO=C1NC(Cc2ccccc2)=C(O)C(=O)C12CCCC2
InChIInChI=1S/C16H17NO3/c18-13-12(10-11-6-2-1-3-7-11)17-15(20)16(14(13)19)8-4-5-9-16/h1-3,6-7,18H,4-5,8-10H2,(H,17,20)
InChIKeyUUPJALNGUDADNZ-UHFFFAOYSA-N
XLogP2.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione?
The IUPAC name of 8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione (CID 14615266) is 8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione.
What is the SMILES notation for 8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione?
The canonical SMILES for 8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione is O=C1NC(Cc2ccccc2)=C(O)C(=O)C12CCCC2.
What is the InChIKey of 8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione?
The InChIKey is UUPJALNGUDADNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-13-12(10-11-6-2-1-3-7-11)17-15(20)16(14(13)19)8-4-5-9-16/h1-3,6-7,18H,4-5,8-10H2,(H,17,20).
What are the key properties of 8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione?
8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione has a molecular weight of 271.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione is sourced from PubChem (CID 14615266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).