ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate

C11H15NO2 — CID 141348755

IUPACethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c(C2CC2)c1
InChIInChI=1S/C11H15NO2/c1-2-14-11(13)6-8-5-10(12-7-8)9-3-4-9/h5,7,9,12H,2-4,6H2,1H3
InChIKeyHXNCGSNDXUXDQC-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.00
Rot. Bonds4

About ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate

ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate (PubChem CID 141348755) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate
PubChem CID141348755
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c(C2CC2)c1
InChIInChI=1S/C11H15NO2/c1-2-14-11(13)6-8-5-10(12-7-8)9-3-4-9/h5,7,9,12H,2-4,6H2,1H3
InChIKeyHXNCGSNDXUXDQC-UHFFFAOYSA-N
XLogP2.00
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate (CID 141348755) is ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate is CCOC(=O)Cc1c[nH]c(C2CC2)c1.
What is the InChIKey of ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate?
The InChIKey is HXNCGSNDXUXDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-11(13)6-8-5-10(12-7-8)9-3-4-9/h5,7,9,12H,2-4,6H2,1H3.
What are the key properties of ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate?
ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate has a molecular weight of 193.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate is sourced from PubChem (CID 141348755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).