3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one

C15H25NO2 — CID 102903087

IUPAC3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one
SMILESO=C1NCCCCC1CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H25NO2/c17-14-12(5-1-4-10-16-14)11-13-6-9-15(18-13)7-2-3-8-15/h12-13H,1-11H2,(H,16,17)
InChIKeyQZOWCJOXERUOQY-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.78
Rot. Bonds2

About 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one

3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one (PubChem CID 102903087) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one
PubChem CID102903087
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one
SMILESO=C1NCCCCC1CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H25NO2/c17-14-12(5-1-4-10-16-14)11-13-6-9-15(18-13)7-2-3-8-15/h12-13H,1-11H2,(H,16,17)
InChIKeyQZOWCJOXERUOQY-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-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

3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one
CID 116525765
3-(cyclohexylmethyl)piperidin-2-one
CID 104679133
3-prop-2-ynylazepan-2-one
CID 104679576
3-(2,2-difluoroethyl)azepan-2-one
CID 104679699
3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione
CID 102901713
6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione
CID 102901696
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
(3S)-3-(2-amino-2-hydroxyethyl)azepan-2-one
CID 68951784
3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899318
5,5-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazolidine-2,4-dione
CID 102901153
N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine
CID 102899036
3-(5-hydroxypentyl)azepan-2-one
CID 104679507

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one?
The IUPAC name of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one (CID 102903087) is 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one.
What is the SMILES notation for 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one?
The canonical SMILES for 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one is O=C1NCCCCC1CC1CCC2(CCCC2)O1.
What is the InChIKey of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one?
The InChIKey is QZOWCJOXERUOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-14-12(5-1-4-10-16-14)11-13-6-9-15(18-13)7-2-3-8-15/h12-13H,1-11H2,(H,16,17).
What are the key properties of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one?
3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one is sourced from PubChem (CID 102903087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).