methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate

C12H18N2O3 — CID 47123246

IUPACmethyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCNC(=O)c1[nH]c(CC)c(C(=O)OC)c1C
InChIInChI=1S/C12H18N2O3/c1-5-8-9(12(16)17-4)7(3)10(14-8)11(15)13-6-2/h14H,5-6H2,1-4H3,(H,13,15)
InChIKeyISFBGEBBGRKRFZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.42
Rot. Bonds4

About methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate

methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 47123246) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
PubChem CID47123246
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCNC(=O)c1[nH]c(CC)c(C(=O)OC)c1C
InChIInChI=1S/C12H18N2O3/c1-5-8-9(12(16)17-4)7(3)10(14-8)11(15)13-6-2/h14H,5-6H2,1-4H3,(H,13,15)
InChIKeyISFBGEBBGRKRFZ-UHFFFAOYSA-N
XLogP1.42
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
CID 2446824
methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 36679757
methyl 5-[(1-amino-1-oxopropan-2-yl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 134045726
methyl 5-(1-cyclopropylethylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 47123942
methyl 2-ethyl-4-methyl-5-[[3-oxo-3-(pyridin-2-ylamino)propyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 47056285
methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 48502076
methyl 2-ethyl-4-methyl-5-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 33117792
methyl 2-ethyl-4-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 35070861
methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 51187269
methyl 2-ethyl-5-[ethyl(2-methylprop-2-enyl)carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 31832696
methyl 5-[(2-chloro-4-methylphenyl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 30848189
methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 35029418

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate (CID 47123246) is methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate is CCNC(=O)c1[nH]c(CC)c(C(=O)OC)c1C.
What is the InChIKey of methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is ISFBGEBBGRKRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-5-8-9(12(16)17-4)7(3)10(14-8)11(15)13-6-2/h14H,5-6H2,1-4H3,(H,13,15).
What are the key properties of methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate?
methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 47123246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).