(5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one

C18H20F2N2O2 — CID 162442117

IUPAC(5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)C[C@]2(C=C(N)C1=O)CCN(C(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C18H20F2N2O2/c1-17(2)9-18(8-14(21)15(17)23)5-6-22(10-18)16(24)12-4-3-11(19)7-13(12)20/h3-4,7-8H,5-6,9-10,21H2,1-2H3/t18-/m1/s1
InChIKeyZBAGAOVSXOGHOZ-GOSISDBHSA-N
MW334.37 g/mol
LogP2.64
Rot. Bonds1

About (5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one

(5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one (PubChem CID 162442117) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is (5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name(5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
PubChem CID162442117
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)C[C@]2(C=C(N)C1=O)CCN(C(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C18H20F2N2O2/c1-17(2)9-18(8-14(21)15(17)23)5-6-22(10-18)16(24)12-4-3-11(19)7-13(12)20/h3-4,7-8H,5-6,9-10,21H2,1-2H3/t18-/m1/s1
InChIKeyZBAGAOVSXOGHOZ-GOSISDBHSA-N
XLogP2.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one with MolForge

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Related Compounds

(5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 162442428
7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 166945794
6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
CID 162441983
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
(5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 166945759
(5R)-7-amino-2-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 162441670
(5S)-7-amino-2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 166945918
6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
CID 166945780
(2-bromo-4-fluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 79036772
(4-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103354971
6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
CID 166945829
10-amino-4-(2,5-difluoro-4-methylbenzoyl)-8,8-dimethyl-1-oxa-4-azaspiro[5.5]undec-10-en-9-one
CID 166945767

Frequently Asked Questions

What is the IUPAC name of (5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The IUPAC name of (5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one (CID 162442117) is (5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for (5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for (5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one is CC1(C)C[C@]2(C=C(N)C1=O)CCN(C(=O)c1ccc(F)cc1F)C2.
What is the InChIKey of (5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The InChIKey is ZBAGAOVSXOGHOZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-17(2)9-18(8-14(21)15(17)23)5-6-22(10-18)16(24)12-4-3-11(19)7-13(12)20/h3-4,7-8H,5-6,9-10,21H2,1-2H3/t18-/m1/s1.
What are the key properties of (5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
(5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one has a molecular weight of 334.37 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 162442117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).