6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione

C13H13ClN2O3 — CID 22943990

IUPAC6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione
SMILESCC1CC12OC(=O)N(c1ccc(Cl)cc1)N(C)C2=O
InChIInChI=1S/C13H13ClN2O3/c1-8-7-13(8)11(17)15(2)16(12(18)19-13)10-5-3-9(14)4-6-10/h3-6,8H,7H2,1-2H3
InChIKeyUBLBYFRWLKXPRD-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.45
Rot. Bonds1

About 6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione

6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione (PubChem CID 22943990) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione
PubChem CID22943990
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione
SMILESCC1CC12OC(=O)N(c1ccc(Cl)cc1)N(C)C2=O
InChIInChI=1S/C13H13ClN2O3/c1-8-7-13(8)11(17)15(2)16(12(18)19-13)10-5-3-9(14)4-6-10/h3-6,8H,7H2,1-2H3
InChIKeyUBLBYFRWLKXPRD-UHFFFAOYSA-N
XLogP2.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione with MolForge

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Related Compounds

3-(4-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 14268537
(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 7131673
3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one
CID 56693278
methyl 6-(4-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2855527
methyl (6S)-6-(4-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 803222
2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one
CID 134094277
N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 155093030
(4S)-3-(4-chlorophenyl)-4-[(4S)-3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-1,3-oxazolidin-2-one
CID 11429301
5-(4-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565712
4-chloro-10-(4-chlorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
CID 4091897
6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one
CID 105484171
(6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one
CID 67352258

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione?
The IUPAC name of 6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione (CID 22943990) is 6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione?
The canonical SMILES for 6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione is CC1CC12OC(=O)N(c1ccc(Cl)cc1)N(C)C2=O.
What is the InChIKey of 6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione?
The InChIKey is UBLBYFRWLKXPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-8-7-13(8)11(17)15(2)16(12(18)19-13)10-5-3-9(14)4-6-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione?
6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione has a molecular weight of 280.71 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione is sourced from PubChem (CID 22943990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).