5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one

C15H17FN2O2 — CID 83267205

IUPAC5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(C2CCOC2)C(c2ccc(F)cc2)NC12CC2
InChIInChI=1S/C15H17FN2O2/c16-11-3-1-10(2-4-11)13-17-15(6-7-15)14(19)18(13)12-5-8-20-9-12/h1-4,12-13,17H,5-9H2
InChIKeyFOUXHKIWQRLFCM-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.58
Rot. Bonds2

About 5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one

5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83267205) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83267205
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(C2CCOC2)C(c2ccc(F)cc2)NC12CC2
InChIInChI=1S/C15H17FN2O2/c16-11-3-1-10(2-4-11)13-17-15(6-7-15)14(19)18(13)12-5-8-20-9-12/h1-4,12-13,17H,5-9H2
InChIKeyFOUXHKIWQRLFCM-UHFFFAOYSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267240
5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267252
6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250307
2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one
CID 83256425
2-cyclopentyl-3-(oxolan-3-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83267225
3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244929
6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83271058
3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244642
5-ethyl-2-(2-fluorophenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one
CID 83267224
6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83244933
2-(4-methoxyphenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83270364
6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263864

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83267205) is 5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one is O=C1N(C2CCOC2)C(c2ccc(F)cc2)NC12CC2.
What is the InChIKey of 5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is FOUXHKIWQRLFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-11-3-1-10(2-4-11)13-17-15(6-7-15)14(19)18(13)12-5-8-20-9-12/h1-4,12-13,17H,5-9H2.
What are the key properties of 5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 276.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83267205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).