3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione

C13H10Cl2N2O3 — CID 177376700

IUPAC3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
SMILESO=C1CCC2(CC(c3c(Cl)cccc3Cl)=NO2)C(=O)N1
InChIInChI=1S/C13H10Cl2N2O3/c14-7-2-1-3-8(15)11(7)9-6-13(20-17-9)5-4-10(18)16-12(13)19/h1-3H,4-6H2,(H,16,18,19)
InChIKeyIDGGGSXKPHJBAR-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.29
Rot. Bonds1

About 3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione

3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione (PubChem CID 177376700) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
PubChem CID177376700
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Name3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
SMILESO=C1CCC2(CC(c3c(Cl)cccc3Cl)=NO2)C(=O)N1
InChIInChI=1S/C13H10Cl2N2O3/c14-7-2-1-3-8(15)11(7)9-6-13(20-17-9)5-4-10(18)16-12(13)19/h1-3H,4-6H2,(H,16,18,19)
InChIKeyIDGGGSXKPHJBAR-UHFFFAOYSA-N
XLogP2.29
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione?
The IUPAC name of 3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione (CID 177376700) is 3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione is O=C1CCC2(CC(c3c(Cl)cccc3Cl)=NO2)C(=O)N1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione?
The InChIKey is IDGGGSXKPHJBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c14-7-2-1-3-8(15)11(7)9-6-13(20-17-9)5-4-10(18)16-12(13)19/h1-3H,4-6H2,(H,16,18,19).
What are the key properties of 3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione?
3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione has a molecular weight of 313.14 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione is sourced from PubChem (CID 177376700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).