2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one

C19H25NO2 — CID 58230086

IUPAC2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one
SMILESCC1(O)CCC2(CCN(c3ccc(C4CC4)cc3)C2=O)CC1
InChIInChI=1S/C19H25NO2/c1-18(22)8-10-19(11-9-18)12-13-20(17(19)21)16-6-4-15(5-7-16)14-2-3-14/h4-7,14,22H,2-3,8-13H2,1H3
InChIKeySLNQVHMHEWSCNE-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.61
Rot. Bonds2

About 2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one

2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one (PubChem CID 58230086) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one
PubChem CID58230086
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one
SMILESCC1(O)CCC2(CCN(c3ccc(C4CC4)cc3)C2=O)CC1
InChIInChI=1S/C19H25NO2/c1-18(22)8-10-19(11-9-18)12-13-20(17(19)21)16-6-4-15(5-7-16)14-2-3-14/h4-7,14,22H,2-3,8-13H2,1H3
InChIKeySLNQVHMHEWSCNE-UHFFFAOYSA-N
XLogP3.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one (CID 58230086) is 2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one is CC1(O)CCC2(CCN(c3ccc(C4CC4)cc3)C2=O)CC1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one?
The InChIKey is SLNQVHMHEWSCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-18(22)8-10-19(11-9-18)12-13-20(17(19)21)16-6-4-15(5-7-16)14-2-3-14/h4-7,14,22H,2-3,8-13H2,1H3.
What are the key properties of 2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one?
2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one has a molecular weight of 299.41 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58230086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).