2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione

C15H16FNO2 — CID 11507200

IUPAC2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C15H16FNO2/c16-12-5-3-4-11(8-12)10-17-13(18)9-15(14(17)19)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10H2
InChIKeySASFXUXFPWXVLJ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.64
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 11507200) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID11507200
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C15H16FNO2/c16-12-5-3-4-11(8-12)10-17-13(18)9-15(14(17)19)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10H2
InChIKeySASFXUXFPWXVLJ-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione 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

2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride
CID 118741546
2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione
CID 43589447
2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride
CID 118741619
2-[(3-bromo-4-methoxyphenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17477501
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
2-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9360867
8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione
CID 60976541
2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 71924989
(5R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 97077476
2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17441959
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
CID 155852318
(4R)-3'-[(3-fluorophenyl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771561

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 11507200) is 2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is SASFXUXFPWXVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-12-5-3-4-11(8-12)10-17-13(18)9-15(14(17)19)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 261.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 11507200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).