3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one

C14H15FN2O — CID 22428587

IUPAC3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESO=C1NC2(CCCCC2)N=C1c1cccc(F)c1
InChIInChI=1S/C14H15FN2O/c15-11-6-4-5-10(9-11)12-13(18)17-14(16-12)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,17,18)
InChIKeyHNNZBBVQOCKRLN-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.40
Rot. Bonds1

About 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one

3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 22428587) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
PubChem CID22428587
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESO=C1NC2(CCCCC2)N=C1c1cccc(F)c1
InChIInChI=1S/C14H15FN2O/c15-11-6-4-5-10(9-11)12-13(18)17-14(16-12)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,17,18)
InChIKeyHNNZBBVQOCKRLN-UHFFFAOYSA-N
XLogP2.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one (CID 22428587) is 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one is O=C1NC2(CCCCC2)N=C1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is HNNZBBVQOCKRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-11-6-4-5-10(9-11)12-13(18)17-14(16-12)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,17,18).
What are the key properties of 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one?
3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 246.28 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 22428587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).