methyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

C14H16N2O4 — CID 2566819

IUPACmethyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccco2)c1C
InChIInChI=1S/C14H16N2O4/c1-8-11(14(18)19-3)9(2)16-12(8)13(17)15-7-10-5-4-6-20-10/h4-6,16H,7H2,1-3H3,(H,15,17)
InChIKeyUOQDMEPAEAVGNU-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.94
Rot. Bonds4

About methyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 2566819) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID2566819
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccco2)c1C
InChIInChI=1S/C14H16N2O4/c1-8-11(14(18)19-3)9(2)16-12(8)13(17)15-7-10-5-4-6-20-10/h4-6,16H,7H2,1-3H3,(H,15,17)
InChIKeyUOQDMEPAEAVGNU-UHFFFAOYSA-N
XLogP1.94
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide
CID 1489193
[2-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(carbamoylamino)propanoate
CID 3569398
ethyl 4-[2-[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 7999665
ethyl 4-[(4-methoxyphenyl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 5308884
ethyl 4-{[(2-furylmethyl)amino]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 16195769
2-Cyano-3-(2,5-dimethyl-1H-pyrrol-3-yl)-N-furan-2-ylmethyl-acrylamide
CID 787858
1-[5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 867012
4-(cyclopropylcarbonyl)-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide
CID 1482641
4-(cyclohexylcarbonyl)-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide
CID 1482729
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 2363200
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2425711
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 2458238

Frequently Asked Questions

What is the IUPAC name of methyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 2566819) is methyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)NCc2ccco2)c1C.
What is the InChIKey of methyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is UOQDMEPAEAVGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-11(14(18)19-3)9(2)16-12(8)13(17)15-7-10-5-4-6-20-10/h4-6,16H,7H2,1-3H3,(H,15,17).
What are the key properties of methyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(furan-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 2566819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).