8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one

C19H22F3NO2 — CID 58229949

IUPAC8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESC=C(C)C1(O)CCC2(CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C19H22F3NO2/c1-13(2)18(25)9-7-17(8-10-18)11-12-23(16(17)24)15-5-3-14(4-6-15)19(20,21)22/h3-6,25H,1,7-12H2,2H3
InChIKeyQWMMVYLQGAPUME-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.31
Rot. Bonds2

About 8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one

8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 58229949) has the molecular formula C19H22F3NO2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
PubChem CID58229949
Molecular FormulaC19H22F3NO2
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Name8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESC=C(C)C1(O)CCC2(CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C19H22F3NO2/c1-13(2)18(25)9-7-17(8-10-18)11-12-23(16(17)24)15-5-3-14(4-6-15)19(20,21)22/h3-6,25H,1,7-12H2,2H3
InChIKeyQWMMVYLQGAPUME-UHFFFAOYSA-N
XLogP4.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one (CID 58229949) is 8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one is C=C(C)C1(O)CCC2(CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1.
What is the InChIKey of 8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is QWMMVYLQGAPUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO2/c1-13(2)18(25)9-7-17(8-10-18)11-12-23(16(17)24)15-5-3-14(4-6-15)19(20,21)22/h3-6,25H,1,7-12H2,2H3.
What are the key properties of 8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 353.38 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-prop-1-en-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58229949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).