methyl 5-ethyl-1-propylpyrrole-2-carboxylate

C11H17NO2 — CID 100792535

IUPACmethyl 5-ethyl-1-propylpyrrole-2-carboxylate
SMILESCCCn1c(CC)ccc1C(=O)OC
InChIInChI=1S/C11H17NO2/c1-4-8-12-9(5-2)6-7-10(12)11(13)14-3/h6-7H,4-5,8H2,1-3H3
InChIKeyXAWHNWJOXCPLJW-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.25
Rot. Bonds4

About methyl 5-ethyl-1-propylpyrrole-2-carboxylate

methyl 5-ethyl-1-propylpyrrole-2-carboxylate (PubChem CID 100792535) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl 5-ethyl-1-propylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-1-propylpyrrole-2-carboxylate
PubChem CID100792535
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl 5-ethyl-1-propylpyrrole-2-carboxylate
SMILESCCCn1c(CC)ccc1C(=O)OC
InChIInChI=1S/C11H17NO2/c1-4-8-12-9(5-2)6-7-10(12)11(13)14-3/h6-7H,4-5,8H2,1-3H3
InChIKeyXAWHNWJOXCPLJW-UHFFFAOYSA-N
XLogP2.25
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-propylpyrrole-2-carbohydrazide
CID 100792537
methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate
CID 100792585
methyl 5-butyl-1-(2-methylpropyl)pyrrole-2-carboxylate
CID 100793133
methyl 5-(aminomethyl)-1-methylpyrrole-2-carboxylate
CID 58009672
(5-ethyl-1-propylpyrrol-2-yl)methanol
CID 100792529
1,5-diethylpyrrole-2-carboxylic acid
CID 100792524
methyl 5-benzyl-1-prop-2-enylpyrrole-2-carboxylate
CID 100793310
methyl (E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoate
CID 59170459
methyl 1-propylpyrazole-3-carboxylate
CID 25247474
methyl 1-[(4-fluorophenyl)methyl]-5-[(4-methylphenyl)methyl]pyrrole-2-carboxylate
CID 100793579
methyl 1-methyl-5-methylperoxypyrrole-2-carboxylate
CID 142215940
methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate
CID 117222284

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-1-propylpyrrole-2-carboxylate?
The IUPAC name of methyl 5-ethyl-1-propylpyrrole-2-carboxylate (CID 100792535) is methyl 5-ethyl-1-propylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-ethyl-1-propylpyrrole-2-carboxylate?
The canonical SMILES for methyl 5-ethyl-1-propylpyrrole-2-carboxylate is CCCn1c(CC)ccc1C(=O)OC.
What is the InChIKey of methyl 5-ethyl-1-propylpyrrole-2-carboxylate?
The InChIKey is XAWHNWJOXCPLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-8-12-9(5-2)6-7-10(12)11(13)14-3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of methyl 5-ethyl-1-propylpyrrole-2-carboxylate?
methyl 5-ethyl-1-propylpyrrole-2-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-1-propylpyrrole-2-carboxylate is sourced from PubChem (CID 100792535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).