9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one

C15H18F2N2O3 — CID 131695168

IUPAC9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cc(C(=O)N2CC(F)(F)CC3(CCNC3=O)C2)c(C)o1
InChIInChI=1S/C15H18F2N2O3/c1-9-5-11(10(2)22-9)12(20)19-7-14(3-4-18-13(14)21)6-15(16,17)8-19/h5H,3-4,6-8H2,1-2H3,(H,18,21)
InChIKeyOQSZYLKJDHAMSO-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.88
Rot. Bonds1

About 9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one

9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131695168) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is 9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131695168
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cc(C(=O)N2CC(F)(F)CC3(CCNC3=O)C2)c(C)o1
InChIInChI=1S/C15H18F2N2O3/c1-9-5-11(10(2)22-9)12(20)19-7-14(3-4-18-13(14)21)6-15(16,17)8-19/h5H,3-4,6-8H2,1-2H3,(H,18,21)
InChIKeyOQSZYLKJDHAMSO-UHFFFAOYSA-N
XLogP1.88
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-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

9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
CID 131695132
3-(2,5-dimethylfuran-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 86285979
(5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97392356
7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131695009
7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131695166
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251953
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
(2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259463
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 120815344
6-(2,5-dimethylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175577

Frequently Asked Questions

What is the IUPAC name of 9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one (CID 131695168) is 9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one is Cc1cc(C(=O)N2CC(F)(F)CC3(CCNC3=O)C2)c(C)o1.
What is the InChIKey of 9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is OQSZYLKJDHAMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c1-9-5-11(10(2)22-9)12(20)19-7-14(3-4-18-13(14)21)6-15(16,17)8-19/h5H,3-4,6-8H2,1-2H3,(H,18,21).
What are the key properties of 9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 312.32 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131695168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).