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

C13H12Cl2N2O — CID 22428747

IUPAC3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
SMILESO=C1NC2(CCCC2)N=C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2O/c14-9-4-3-8(7-10(9)15)11-12(18)17-13(16-11)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,17,18)
InChIKeyMISVQJMAASELAR-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.18
Rot. Bonds1

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

3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one (PubChem CID 22428747) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
PubChem CID22428747
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
SMILESO=C1NC2(CCCC2)N=C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2O/c14-9-4-3-8(7-10(9)15)11-12(18)17-13(16-11)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,17,18)
InChIKeyMISVQJMAASELAR-UHFFFAOYSA-N
XLogP3.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one (CID 22428747) is 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one is O=C1NC2(CCCC2)N=C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is MISVQJMAASELAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-9-4-3-8(7-10(9)15)11-12(18)17-13(16-11)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,17,18).
What are the key properties of 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one?
3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 283.16 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 22428747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).