dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate

C11H15NO4 — CID 10036603

IUPACdimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate
SMILESCOC(=O)c1c(C)c(C(=O)OC)n(C)c1C
InChIInChI=1S/C11H15NO4/c1-6-8(10(13)15-4)7(2)12(3)9(6)11(14)16-5/h1-5H3
InChIKeyQDSSXTNUYOVVLY-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.22
Rot. Bonds2

About dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate

dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate (PubChem CID 10036603) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate
PubChem CID10036603
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namedimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate
SMILESCOC(=O)c1c(C)c(C(=O)OC)n(C)c1C
InChIInChI=1S/C11H15NO4/c1-6-8(10(13)15-4)7(2)12(3)9(6)11(14)16-5/h1-5H3
InChIKeyQDSSXTNUYOVVLY-UHFFFAOYSA-N
XLogP1.22
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate
CID 164905081
methyl 1,3,5-trimethyl-4-nitropyrrole-2-carboxylate
CID 56984601
methyl 4-[(2S)-2-[acetyl(propyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144441
methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate
CID 42677395
methyl 4-[2-[ethylcarbamoyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42823544
methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42675885
ethyl 1,3,5-trimethyl-4-(methylcarbamoyl)pyrrole-2-carboxylate
CID 43953939
trimethyl 4,5,6-trimethylbenzene-1,2,3-tricarboxylate
CID 58142568
methyl 4-[(2S)-2-[cyclopropanecarbonyl(cyclopropyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144416
methyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 46044252
methyl 4-[2-[ethylsulfonyl(prop-2-enyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42823191
methyl 4-[2-[(4-methoxybenzoyl)-methylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42666667

Frequently Asked Questions

What is the IUPAC name of dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate?
The IUPAC name of dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate (CID 10036603) is dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate?
The canonical SMILES for dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate is COC(=O)c1c(C)c(C(=O)OC)n(C)c1C.
What is the InChIKey of dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate?
The InChIKey is QDSSXTNUYOVVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-6-8(10(13)15-4)7(2)12(3)9(6)11(14)16-5/h1-5H3.
What are the key properties of dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate?
dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate has a molecular weight of 225.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate is sourced from PubChem (CID 10036603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).