3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione

C17H19NO3 — CID 139597055

IUPAC3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione
SMILESCc1ccc(C)c(C2=C(O)C3(CCC(=O)CC3)NC2=O)c1
InChIInChI=1S/C17H19NO3/c1-10-3-4-11(2)13(9-10)14-15(20)17(18-16(14)21)7-5-12(19)6-8-17/h3-4,9,20H,5-8H2,1-2H3,(H,18,21)
InChIKeySFOGCUWIBAMWIT-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.58
Rot. Bonds1

About 3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione

3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione (PubChem CID 139597055) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione
PubChem CID139597055
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione
SMILESCc1ccc(C)c(C2=C(O)C3(CCC(=O)CC3)NC2=O)c1
InChIInChI=1S/C17H19NO3/c1-10-3-4-11(2)13(9-10)14-15(20)17(18-16(14)21)7-5-12(19)6-8-17/h3-4,9,20H,5-8H2,1-2H3,(H,18,21)
InChIKeySFOGCUWIBAMWIT-UHFFFAOYSA-N
XLogP2.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione?
The IUPAC name of 3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione (CID 139597055) is 3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione?
The canonical SMILES for 3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione is Cc1ccc(C)c(C2=C(O)C3(CCC(=O)CC3)NC2=O)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione?
The InChIKey is SFOGCUWIBAMWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-10-3-4-11(2)13(9-10)14-15(20)17(18-16(14)21)7-5-12(19)6-8-17/h3-4,9,20H,5-8H2,1-2H3,(H,18,21).
What are the key properties of 3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione?
3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione has a molecular weight of 285.34 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione is sourced from PubChem (CID 139597055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).