5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one

C20H27NO2 — CID 139798659

IUPAC5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one
SMILESCc1cc(C)c(C2=C(O)C3(CCCCC3)CN(C)C2=O)c(C)c1
InChIInChI=1S/C20H27NO2/c1-13-10-14(2)16(15(3)11-13)17-18(22)20(8-6-5-7-9-20)12-21(4)19(17)23/h10-11,22H,5-9,12H2,1-4H3
InChIKeyJLGBOANQZLGWAZ-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.30
Rot. Bonds1

About 5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one

5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one (PubChem CID 139798659) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one.

Molecular Properties

Compound Name5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one
PubChem CID139798659
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one
SMILESCc1cc(C)c(C2=C(O)C3(CCCCC3)CN(C)C2=O)c(C)c1
InChIInChI=1S/C20H27NO2/c1-13-10-14(2)16(15(3)11-13)17-18(22)20(8-6-5-7-9-20)12-21(4)19(17)23/h10-11,22H,5-9,12H2,1-4H3
InChIKeyJLGBOANQZLGWAZ-UHFFFAOYSA-N
XLogP4.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one?
The IUPAC name of 5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one (CID 139798659) is 5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one.
What is the SMILES notation for 5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one?
The canonical SMILES for 5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one is Cc1cc(C)c(C2=C(O)C3(CCCCC3)CN(C)C2=O)c(C)c1.
What is the InChIKey of 5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one?
The InChIKey is JLGBOANQZLGWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-13-10-14(2)16(15(3)11-13)17-18(22)20(8-6-5-7-9-20)12-21(4)19(17)23/h10-11,22H,5-9,12H2,1-4H3.
What are the key properties of 5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one?
5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one has a molecular weight of 313.44 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one is sourced from PubChem (CID 139798659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).