6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one

C18H21FN2O3 — CID 166945780

IUPAC6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
SMILESCOc1cc(C(=O)N2CC3(C=C(N)C(=O)C(C)(C)C3)C2)ccc1F
InChIInChI=1S/C18H21FN2O3/c1-17(2)8-18(7-13(20)15(17)22)9-21(10-18)16(23)11-4-5-12(19)14(6-11)24-3/h4-7H,8-10,20H2,1-3H3
InChIKeyAXQDMZUELQFFJQ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.12
Rot. Bonds2

About 6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one

6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one (PubChem CID 166945780) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one.

Molecular Properties

Compound Name6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
PubChem CID166945780
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
SMILESCOc1cc(C(=O)N2CC3(C=C(N)C(=O)C(C)(C)C3)C2)ccc1F
InChIInChI=1S/C18H21FN2O3/c1-17(2)8-18(7-13(20)15(17)22)9-21(10-18)16(23)11-4-5-12(19)14(6-11)24-3/h4-7H,8-10,20H2,1-3H3
InChIKeyAXQDMZUELQFFJQ-UHFFFAOYSA-N
XLogP2.12
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one with MolForge

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Related Compounds

2-(2,3-difluoro-6-methoxybenzoyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile
CID 162442222
(5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one
CID 166945681
6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one
CID 166945788
4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 81288892
6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
CID 166945776
[(3R)-3-aminopyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 113282283
4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 81005031
6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one
CID 166946107
7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 166945794
(4-fluoro-3-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002014
6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one
CID 162442437
1-(4-fluoro-3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 81283944

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The IUPAC name of 6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one (CID 166945780) is 6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one.
What is the SMILES notation for 6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The canonical SMILES for 6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one is COc1cc(C(=O)N2CC3(C=C(N)C(=O)C(C)(C)C3)C2)ccc1F.
What is the InChIKey of 6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The InChIKey is AXQDMZUELQFFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-17(2)8-18(7-13(20)15(17)22)9-21(10-18)16(23)11-4-5-12(19)14(6-11)24-3/h4-7H,8-10,20H2,1-3H3.
What are the key properties of 6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one has a molecular weight of 332.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one is sourced from PubChem (CID 166945780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).