ethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate

C16H19NO5 — CID 13408031

IUPACethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(OC)C(=O)N(C)C1(OC)c1ccccc1
InChIInChI=1S/C16H19NO5/c1-5-22-15(19)12-13(20-3)14(18)17(2)16(12,21-4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3
InChIKeyANHLQGMEWZHPOJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.42
Rot. Bonds5

About ethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate

ethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate (PubChem CID 13408031) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate
PubChem CID13408031
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Nameethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(OC)C(=O)N(C)C1(OC)c1ccccc1
InChIInChI=1S/C16H19NO5/c1-5-22-15(19)12-13(20-3)14(18)17(2)16(12,21-4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3
InChIKeyANHLQGMEWZHPOJ-UHFFFAOYSA-N
XLogP1.42
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (E)-2-[[(3S,4R)-3-methoxy-2-oxo-4-phenylazetidin-1-yl]methyl]-3-phenylprop-2-enoate
CID 134142180
Dimethyl 1-cyclohexyl-2-hydroxy-5-oxo-2-phenylpyrrole-3,4-dicarboxylate
CID 101859308
2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one
CID 134844557
Ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate
CID 134913831
(2R,3S)-N-methyl-3-phenyl-N-(1-phenylethenyl)oxirane-2-carboxamide
CID 135016630
ethyl 4-hydroxy-5-oxo-2-phenyl-1-propan-2-yl-2H-pyrrole-3-carboxylate
CID 176436650
methyl 4-[3-acetyl-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2H-pyrrol-2-yl]benzoate
CID 3151227
[2-(Dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 42925687
Ethyl 1-methyl-2-oxo-3-methoxy-5-phenyl-3-pyrrolin-4-carboxylate
CID 608656
Ethyl 1-methyl-2-oxo-3-hydroxy-5-phenyl-3-pyrrolin-4-carboxylate
CID 54679641
1-(1-Methoxycarbonylethyl)-3-benzyloxy-4-phenylazetidin-2-one
CID 13035212
benzyl 2-(6-formyl-2,3-dihydro-4-oxo-5-phenyl-4H-1,3-oxazin-3-yl)-2-methylpropanoate
CID 19354598

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate (CID 13408031) is ethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate is CCOC(=O)C1=C(OC)C(=O)N(C)C1(OC)c1ccccc1.
What is the InChIKey of ethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate?
The InChIKey is ANHLQGMEWZHPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-5-22-15(19)12-13(20-3)14(18)17(2)16(12,21-4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate?
ethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 13408031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).