methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate

C11H17NO2 — CID 100792585

IUPACmethyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate
SMILESCCc1ccc(C(=O)OC)n1C(C)C
InChIInChI=1S/C11H17NO2/c1-5-9-6-7-10(11(13)14-4)12(9)8(2)3/h6-8H,5H2,1-4H3
InChIKeyUOVUGZXICAUBKK-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.42
Rot. Bonds3

About methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate

methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate (PubChem CID 100792585) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate
PubChem CID100792585
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate
SMILESCCc1ccc(C(=O)OC)n1C(C)C
InChIInChI=1S/C11H17NO2/c1-5-9-6-7-10(11(13)14-4)12(9)8(2)3/h6-8H,5H2,1-4H3
InChIKeyUOVUGZXICAUBKK-UHFFFAOYSA-N
XLogP2.42
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[(4-methylphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxylate
CID 100793547
methyl 5-ethyl-1-propylpyrrole-2-carboxylate
CID 100792535
methyl 1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrole-2-carboxylate
CID 100792801
methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate
CID 133155163
methyl 5-butyl-1-(2-methylpropyl)pyrrole-2-carboxylate
CID 100793133
methyl 5-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222769
methyl 5-(aminomethyl)-1-methylpyrrole-2-carboxylate
CID 58009672
methyl 5-(2-aminophenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222324
5-methoxycarbonyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 117218592
methyl 2-formyl-3-propan-2-ylimidazole-4-carboxylate
CID 83879755
methyl 5-(bromomethyl)-1-methyl-6-oxopyridine-2-carboxylate
CID 171784129
1,5-diethylpyrrole-2-carboxylic acid
CID 100792524

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate?
The IUPAC name of methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate (CID 100792585) is methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate?
The canonical SMILES for methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate is CCc1ccc(C(=O)OC)n1C(C)C.
What is the InChIKey of methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate?
The InChIKey is UOVUGZXICAUBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-9-6-7-10(11(13)14-4)12(9)8(2)3/h6-8H,5H2,1-4H3.
What are the key properties of methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate?
methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate is sourced from PubChem (CID 100792585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).