[4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate

C19H24ClNO4 — CID 59030258

IUPAC[4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate
SMILESCOc1cc(C)cc(Cl)c1C1=C(OC(=O)C(C)(C)C)C(C)(C)NC1=O
InChIInChI=1S/C19H24ClNO4/c1-10-8-11(20)13(12(9-10)24-7)14-15(19(5,6)21-16(14)22)25-17(23)18(2,3)4/h8-9H,1-7H3,(H,21,22)
InChIKeyMCTUONDYNGNQBC-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.87
Rot. Bonds3

About [4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate

[4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate (PubChem CID 59030258) has the molecular formula C19H24ClNO4 and a molecular weight of 365.86 g/mol. Its IUPAC name is [4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate
PubChem CID59030258
Molecular FormulaC19H24ClNO4
Molecular Weight365.86 g/mol
Exact Mass365.14
IUPAC Name[4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate
SMILESCOc1cc(C)cc(Cl)c1C1=C(OC(=O)C(C)(C)C)C(C)(C)NC1=O
InChIInChI=1S/C19H24ClNO4/c1-10-8-11(20)13(12(9-10)24-7)14-15(19(5,6)21-16(14)22)25-17(23)18(2,3)4/h8-9H,1-7H3,(H,21,22)
InChIKeyMCTUONDYNGNQBC-UHFFFAOYSA-N
XLogP3.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

[4-(4-chloro-2-methoxy-6-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate;3-(4-chloro-2-methoxy-6-methylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one;2,2-dimethylpropanoyl chloride
CID 159448412
3-(2-chloro-6-methoxy-4-methylphenyl)-5,5-dimethyl-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxy-1H-pyrrol-2-one
CID 58385715
[4-(4-chloro-2-methoxy-6-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2-methylpropanoate
CID 142939075
[2,2-dimethyl-5-oxo-4-(2,4,6-trimethylphenyl)-1H-pyrrol-3-yl] methyl carbonate
CID 12044620
[3-(2-chloro-6-methoxy-4-methylphenyl)-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58385708
[3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-8-oxa-1-azaspiro[4.5]dec-3-en-4-yl] methanesulfonate
CID 59030259
3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-8-oxa-1-azaspiro[4.5]dec-3-en-4-olate
CID 59030251
(7-chloro-5-methyl-1H-indol-3-yl) 2,2-dimethylpropanoate
CID 174468131
[1-hydroxy-2,2-dimethyl-5-oxo-4-(2,4,6-trimethylphenyl)pyrrol-3-yl] 2,2-dimethylpropanoate
CID 139859958
[2-(2-chloro-6-methoxy-4-methylphenyl)-3-oxo-6,7,8,8a-tetrahydro-5H-indolizin-1-yl] hydrogen carbonate
CID 71150756
[3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate
CID 59030264
[1-(chloromethoxy)-2,2-dimethyl-5-oxo-4-(2,4,6-trimethylphenyl)pyrrol-3-yl] 2,2-dimethylpropanoate
CID 139859978

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate (CID 59030258) is [4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate is COc1cc(C)cc(Cl)c1C1=C(OC(=O)C(C)(C)C)C(C)(C)NC1=O.
What is the InChIKey of [4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate?
The InChIKey is MCTUONDYNGNQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO4/c1-10-8-11(20)13(12(9-10)24-7)14-15(19(5,6)21-16(14)22)25-17(23)18(2,3)4/h8-9H,1-7H3,(H,21,22).
What are the key properties of [4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate?
[4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate has a molecular weight of 365.86 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 59030258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).