7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

C13H11ClN2O3 — CID 15176093

IUPAC7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCC1=NOC2(CC(=O)N(c3cccc(Cl)c3)C2=O)C1
InChIInChI=1S/C13H11ClN2O3/c1-8-6-13(19-15-8)7-11(17)16(12(13)18)10-4-2-3-9(14)5-10/h2-5H,6-7H2,1H3
InChIKeyIXTQCZLBKMUHHG-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.14
Rot. Bonds1

About 7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 15176093) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID15176093
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCC1=NOC2(CC(=O)N(c3cccc(Cl)c3)C2=O)C1
InChIInChI=1S/C13H11ClN2O3/c1-8-6-13(19-15-8)7-11(17)16(12(13)18)10-4-2-3-9(14)5-10/h2-5H,6-7H2,1H3
InChIKeyIXTQCZLBKMUHHG-UHFFFAOYSA-N
XLogP2.14
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(3,5-dichlorophenyl)-3-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 14938698
(5R)-3-(2,4-dichlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7481590
(5S)-3-(2,4-dichlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7481591
2-[4-[7-(3-chlorophenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy]acetonitrile
CID 4912334
(5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7481646
(5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7597362
3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4887717
7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4870628
(5R)-7-(3,4-dimethylphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7633164
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 51971757
7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4899988
(3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione
CID 1329982

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of 7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 15176093) is 7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for 7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for 7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is CC1=NOC2(CC(=O)N(c3cccc(Cl)c3)C2=O)C1.
What is the InChIKey of 7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is IXTQCZLBKMUHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-8-6-13(19-15-8)7-11(17)16(12(13)18)10-4-2-3-9(14)5-10/h2-5H,6-7H2,1H3.
What are the key properties of 7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 278.69 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 15176093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).