3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one

C15H15Cl2NO2 — CID 10852553

IUPAC3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one
SMILESCC1CCCC2(CC(c3c(Cl)cccc3Cl)=NO2)C1=O
InChIInChI=1S/C15H15Cl2NO2/c1-9-4-3-7-15(14(9)19)8-12(18-20-15)13-10(16)5-2-6-11(13)17/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyWBBWDZNLFPYSSA-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.25
Rot. Bonds1

About 3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one

3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one (PubChem CID 10852553) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one
PubChem CID10852553
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one
SMILESCC1CCCC2(CC(c3c(Cl)cccc3Cl)=NO2)C1=O
InChIInChI=1S/C15H15Cl2NO2/c1-9-4-3-7-15(14(9)19)8-12(18-20-15)13-10(16)5-2-6-11(13)17/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyWBBWDZNLFPYSSA-UHFFFAOYSA-N
XLogP4.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3'-(2,6-Dichlorophenyl)spiroo[bicyclo[2.2.1]heptane-2,5'(4'H)-isoxazole-3-one
CID 139057379
3-(2,6-dichlorophenyl)-5,6,7,7a-tetrahydro-3aH-1,2-benzoxazol-4-one
CID 11119607
Ywnkmgujlohsos-inwyiafrsa-
CID 21633393
Methyl 3-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 71561386
3-(2,6-Dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole-4-carbaldehyde
CID 89275470
3-[3-(2,6-Dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]propanal
CID 89275510
(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 7263713
(5S)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 7263715
3-(2,6-Dichlorophenyl)-4-methyl-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one
CID 11460220
3-(2,6-dichlorophenyl)-5,7a-dimethyl-3aH-1,2-benzoxazole-4,7-dione
CID 13228177
3-(2,6-dichlorophenyl)-6,7a-dimethyl-3aH-1,2-benzoxazole-4,7-dione
CID 13228180
6-tert-butyl-3-(2,6-dichlorophenyl)-7a-methyl-3aH-1,2-benzoxazole-4,7-dione
CID 13228185

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one (CID 10852553) is 3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one is CC1CCCC2(CC(c3c(Cl)cccc3Cl)=NO2)C1=O.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one?
The InChIKey is WBBWDZNLFPYSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-9-4-3-7-15(14(9)19)8-12(18-20-15)13-10(16)5-2-6-11(13)17/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one?
3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one has a molecular weight of 312.20 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-6-one is sourced from PubChem (CID 10852553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).