(5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one

C14H15FN2O2 — CID 642447

IUPAC(5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one
SMILESCC1(C)C[C@]2(CC(c3ccc(F)cc3)=NO2)C(=O)N1
InChIInChI=1S/C14H15FN2O2/c1-13(2)8-14(12(18)16-13)7-11(17-19-14)9-3-5-10(15)6-4-9/h3-6H,7-8H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyICAWXYOLFWWMPS-CQSZACIVSA-N
MW262.28 g/mol
LogP1.99
Rot. Bonds1

About (5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one

(5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one (PubChem CID 642447) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is (5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one.

Molecular Properties

Compound Name(5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one
PubChem CID642447
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name(5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one
SMILESCC1(C)C[C@]2(CC(c3ccc(F)cc3)=NO2)C(=O)N1
InChIInChI=1S/C14H15FN2O2/c1-13(2)8-14(12(18)16-13)7-11(17-19-14)9-3-5-10(15)6-4-9/h3-6H,7-8H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyICAWXYOLFWWMPS-CQSZACIVSA-N
XLogP1.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one?
The IUPAC name of (5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one (CID 642447) is (5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one.
What is the SMILES notation for (5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one?
The canonical SMILES for (5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one is CC1(C)C[C@]2(CC(c3ccc(F)cc3)=NO2)C(=O)N1.
What is the InChIKey of (5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one?
The InChIKey is ICAWXYOLFWWMPS-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-13(2)8-14(12(18)16-13)7-11(17-19-14)9-3-5-10(15)6-4-9/h3-6H,7-8H2,1-2H3,(H,16,18)/t14-/m1/s1.
What are the key properties of (5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one?
(5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one has a molecular weight of 262.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-fluorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one is sourced from PubChem (CID 642447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).