sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide

C35H49N2NaO7 — CID 158636852

IUPACsodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide
SMILESC.CO.COc1ccc(C2=C(C)C(C)(C3CC3)NC2=O)c(C)c1.COc1ccc(C2=C(O)C(C)(C3CC3)NC2=O)c(C)c1.[Na+].[OH-]
InChIInChI=1S/C17H21NO2.C16H19NO3.CH4O.CH4.Na.H2O/c1-10-9-13(20-4)7-8-14(10)15-11(2)17(3,12-5-6-12)18-16(15)19;1-9-8-11(20-3)6-7-12(9)13-14(18)16(2,10-4-5-10)17-15(13)19;1-2;;;/h7-9,12H,5-6H2,1-4H3,(H,18,19);6-8,10,18H,4-5H2,1-3H3,(H,17,19);2H,1H3;1H4;;1H2/q;;;;+1;/p-1
InChIKeyHZWKFXTTWNTHDX-UHFFFAOYSA-M
MW632.77 g/mol
LogP2.72
Rot. Bonds6

About sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide

sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide (PubChem CID 158636852) has the molecular formula C35H49N2NaO7 and a molecular weight of 632.77 g/mol. Its IUPAC name is sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide.

Molecular Properties

Compound Namesodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide
PubChem CID158636852
Molecular FormulaC35H49N2NaO7
Molecular Weight632.77 g/mol
Exact Mass632.34
IUPAC Namesodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide
SMILESC.CO.COc1ccc(C2=C(C)C(C)(C3CC3)NC2=O)c(C)c1.COc1ccc(C2=C(O)C(C)(C3CC3)NC2=O)c(C)c1.[Na+].[OH-]
InChIInChI=1S/C17H21NO2.C16H19NO3.CH4O.CH4.Na.H2O/c1-10-9-13(20-4)7-8-14(10)15-11(2)17(3,12-5-6-12)18-16(15)19;1-9-8-11(20-3)6-7-12(9)13-14(18)16(2,10-4-5-10)17-15(13)19;1-2;;;/h7-9,12H,5-6H2,1-4H3,(H,18,19);6-8,10,18H,4-5H2,1-3H3,(H,17,19);2H,1H3;1H4;;1H2/q;;;;+1;/p-1
InChIKeyHZWKFXTTWNTHDX-UHFFFAOYSA-M
XLogP2.72
TPSA147.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.77
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide with MolForge

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Related Compounds

5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one
CID 54721470
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 169451318
3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 59930873
3-(4-methoxy-2-methylphenyl)-5,5-dimethylcyclohex-2-en-1-one
CID 65315804
2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 44726409
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one
CID 154021954
3-methoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 13096425
4-methoxy-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene-8,16-dione
CID 67911037
3-(5-methoxy-2-methylphenyl)-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171961377
3-(4-methoxy-2-methylphenyl)-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171961352
3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 106875112
(4aR)-6-methoxy-1,4a-dimethyl-3,4,9,10-tetrahydrophenanthren-2-one
CID 14865676

Frequently Asked Questions

What is the IUPAC name of sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide?
The IUPAC name of sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide (CID 158636852) is sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide.
What is the SMILES notation for sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide?
The canonical SMILES for sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide is C.CO.COc1ccc(C2=C(C)C(C)(C3CC3)NC2=O)c(C)c1.COc1ccc(C2=C(O)C(C)(C3CC3)NC2=O)c(C)c1.[Na+].[OH-].
What is the InChIKey of sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide?
The InChIKey is HZWKFXTTWNTHDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H21NO2.C16H19NO3.CH4O.CH4.Na.H2O/c1-10-9-13(20-4)7-8-14(10)15-11(2)17(3,12-5-6-12)18-16(15)19;1-9-8-11(20-3)6-7-12(9)13-14(18)16(2,10-4-5-10)17-15(13)19;1-2;;;/h7-9,12H,5-6H2,1-4H3,(H,18,19);6-8,10,18H,4-5H2,1-3H3,(H,17,19);2H,1H3;1H4;;1H2/q;;;;+1;/p-1.
What are the key properties of sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide?
sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide has a molecular weight of 632.77 g/mol, XLogP of 2.72, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide is sourced from PubChem (CID 158636852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).