3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane

C15H19ClN2O2 — CID 143728929

IUPAC3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane
SMILESCC.O=C1NC2(CCOCC2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2.C2H6/c14-10-3-1-9(2-4-10)11-12(17)16-13(15-11)5-7-18-8-6-13;1-2/h1-4H,5-8H2,(H,16,17);1-2H3
InChIKeyUYRLLDFMQFOTHQ-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.79
Rot. Bonds1

About 3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane

3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane (PubChem CID 143728929) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane.

Molecular Properties

Compound Name3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane
PubChem CID143728929
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane
SMILESCC.O=C1NC2(CCOCC2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2.C2H6/c14-10-3-1-9(2-4-10)11-12(17)16-13(15-11)5-7-18-8-6-13;1-2/h1-4H,5-8H2,(H,16,17);1-2H3
InChIKeyUYRLLDFMQFOTHQ-UHFFFAOYSA-N
XLogP2.79
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane?
The IUPAC name of 3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane (CID 143728929) is 3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane.
What is the SMILES notation for 3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane?
The canonical SMILES for 3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane is CC.O=C1NC2(CCOCC2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane?
The InChIKey is UYRLLDFMQFOTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2.C2H6/c14-10-3-1-9(2-4-10)11-12(17)16-13(15-11)5-7-18-8-6-13;1-2/h1-4H,5-8H2,(H,16,17);1-2H3.
What are the key properties of 3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane?
3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane has a molecular weight of 294.78 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane is sourced from PubChem (CID 143728929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).