1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one

C16H19FN2O2 — CID 123292550

IUPAC1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CC(c1ccc(F)cc1)=NO2
InChIInChI=1S/C16H19FN2O2/c1-2-15(20)19-9-7-16(8-10-19)11-14(18-21-16)12-3-5-13(17)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeyDFKSESSALQCNET-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.72
Rot. Bonds2

About 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one

1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one (PubChem CID 123292550) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one
PubChem CID123292550
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CC(c1ccc(F)cc1)=NO2
InChIInChI=1S/C16H19FN2O2/c1-2-15(20)19-9-7-16(8-10-19)11-14(18-21-16)12-3-5-13(17)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeyDFKSESSALQCNET-UHFFFAOYSA-N
XLogP2.72
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one (CID 123292550) is 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one is CCC(=O)N1CCC2(CC1)CC(c1ccc(F)cc1)=NO2.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one?
The InChIKey is DFKSESSALQCNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-15(20)19-9-7-16(8-10-19)11-14(18-21-16)12-3-5-13(17)6-4-12/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one?
1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one has a molecular weight of 290.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one is sourced from PubChem (CID 123292550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).