(3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate

C11H15NO3 — CID 135170537

IUPAC(3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate
SMILESCCC1=CC(=O)N(C)C1OC(=O)C1CC1
InChIInChI=1S/C11H15NO3/c1-3-7-6-9(13)12(2)10(7)15-11(14)8-4-5-8/h6,8,10H,3-5H2,1-2H3
InChIKeyBVQCTAPLLAQDOA-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.07
Rot. Bonds3

About (3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate

(3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate (PubChem CID 135170537) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate
PubChem CID135170537
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate
SMILESCCC1=CC(=O)N(C)C1OC(=O)C1CC1
InChIInChI=1S/C11H15NO3/c1-3-7-6-9(13)12(2)10(7)15-11(14)8-4-5-8/h6,8,10H,3-5H2,1-2H3
InChIKeyBVQCTAPLLAQDOA-UHFFFAOYSA-N
XLogP1.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate?
The IUPAC name of (3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate (CID 135170537) is (3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate.
What is the SMILES notation for (3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate?
The canonical SMILES for (3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate is CCC1=CC(=O)N(C)C1OC(=O)C1CC1.
What is the InChIKey of (3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate?
The InChIKey is BVQCTAPLLAQDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-7-6-9(13)12(2)10(7)15-11(14)8-4-5-8/h6,8,10H,3-5H2,1-2H3.
What are the key properties of (3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate?
(3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate is sourced from PubChem (CID 135170537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).