ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate

C12H19NO2 — CID 19374234

IUPACethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(CC)c(CC)n1C
InChIInChI=1S/C12H19NO2/c1-5-9-8-11(12(14)15-7-3)13(4)10(9)6-2/h8H,5-7H2,1-4H3
InChIKeyXZUMRDNZGXPIEE-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.33
Rot. Bonds4

About ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate

ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate (PubChem CID 19374234) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate
PubChem CID19374234
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(CC)c(CC)n1C
InChIInChI=1S/C12H19NO2/c1-5-9-8-11(12(14)15-7-3)13(4)10(9)6-2/h8H,5-7H2,1-4H3
InChIKeyXZUMRDNZGXPIEE-UHFFFAOYSA-N
XLogP2.33
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate
CID 118913719
ethyl 4-ethyl-5-methyl-1-prop-2-enylpyrrole-2-carboxylate
CID 18785620
ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate
CID 10489867
ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride
CID 131699646
ethyl 1-[(E)-but-2-enyl]-4-ethyl-5-methylpyrrole-2-carboxylate
CID 18785717
ethyl 5-fluoro-1-methylindole-2-carboxylate
CID 10775338
ethyl 1-methyl-8-oxo-4,5,6,7-tetrahydrocyclohepta[b]pyrrole-2-carboxylate
CID 122705237
ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate
CID 53069179
ethyl 4-fluoro-1-methylindole-2-carboxylate
CID 171397337
ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 58117012
ethyl 6,7-dichloro-1-methylindole-2-carboxylate
CID 56945983
2-(3-ethoxycarbonyl-4,5-diethyl-1-methylpyrrol-2-yl)acetic acid
CID 67630683

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate (CID 19374234) is ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate is CCOC(=O)c1cc(CC)c(CC)n1C.
What is the InChIKey of ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate?
The InChIKey is XZUMRDNZGXPIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-9-8-11(12(14)15-7-3)13(4)10(9)6-2/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate?
ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 19374234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).