3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one

C13H13ClN2O — CID 3241514

IUPAC3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
SMILESO=C1NC2(CCCC2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O/c14-10-5-3-9(4-6-10)11-12(17)16-13(15-11)7-1-2-8-13/h3-6H,1-2,7-8H2,(H,16,17)
InChIKeyWILCDRIUYQOBOS-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.53
Rot. Bonds1

About 3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one

3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one (PubChem CID 3241514) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
PubChem CID3241514
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
SMILESO=C1NC2(CCCC2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O/c14-10-5-3-9(4-6-10)11-12(17)16-13(15-11)7-1-2-8-13/h3-6H,1-2,7-8H2,(H,16,17)
InChIKeyWILCDRIUYQOBOS-UHFFFAOYSA-N
XLogP2.53
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one (CID 3241514) is 3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one is O=C1NC2(CCCC2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is WILCDRIUYQOBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-10-5-3-9(4-6-10)11-12(17)16-13(15-11)7-1-2-8-13/h3-6H,1-2,7-8H2,(H,16,17).
What are the key properties of 3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one?
3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 248.71 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 3241514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).