7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one

C17H20FNO2 — CID 71053159

IUPAC7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one
SMILESCC1=C(O)C2(CCCC2)CN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H20FNO2/c1-12-15(20)17(8-2-3-9-17)11-19(16(12)21)10-13-4-6-14(18)7-5-13/h4-7,20H,2-3,8-11H2,1H3
InChIKeyWDEMNHXBKZYBSV-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.56
Rot. Bonds2

About 7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one

7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one (PubChem CID 71053159) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one
PubChem CID71053159
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one
SMILESCC1=C(O)C2(CCCC2)CN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H20FNO2/c1-12-15(20)17(8-2-3-9-17)11-19(16(12)21)10-13-4-6-14(18)7-5-13/h4-7,20H,2-3,8-11H2,1H3
InChIKeyWDEMNHXBKZYBSV-UHFFFAOYSA-N
XLogP3.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56900937
2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56905387
2-[[6-[(4-cyclopropylphenyl)methyl]-9-hydroxy-7-oxo-6-azaspiro[3.5]non-8-ene-8-carbonyl]amino]acetic acid
CID 118176997
(5S)-7-[(4-fluorophenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95721661
7-[(4-fluorophenyl)methyl]-2-[1-(methoxymethyl)cyclopropanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 119061583
1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 175277158
1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione
CID 45251564
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45243127
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 166827609
6-[[1-(3,5-dimethylphenyl)cyclopentyl]-hydroxymethyl]-2-[(4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130451453

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one (CID 71053159) is 7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one is CC1=C(O)C2(CCCC2)CN(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one?
The InChIKey is WDEMNHXBKZYBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12-15(20)17(8-2-3-9-17)11-19(16(12)21)10-13-4-6-14(18)7-5-13/h4-7,20H,2-3,8-11H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one?
7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one has a molecular weight of 289.35 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 71053159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).