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

C10H15NO2 — CID 11206145

IUPACethyl 2-(3-ethyl-1H-pyrrol-2-yl)acetate
SMILESCCOC(=O)Cc1[nH]ccc1CC
InChIInChI=1S/C10H15NO2/c1-3-8-5-6-11-9(8)7-10(12)13-4-2/h5-6,11H,3-4,7H2,1-2H3
InChIKeyRDLBREQNPMYZRG-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.68
Rot. Bonds4

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

ethyl 2-(3-ethyl-1H-pyrrol-2-yl)acetate (PubChem CID 11206145) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl 2-(3-ethyl-1H-pyrrol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethyl-1H-pyrrol-2-yl)acetate
PubChem CID11206145
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl 2-(3-ethyl-1H-pyrrol-2-yl)acetate
SMILESCCOC(=O)Cc1[nH]ccc1CC
InChIInChI=1S/C10H15NO2/c1-3-8-5-6-11-9(8)7-10(12)13-4-2/h5-6,11H,3-4,7H2,1-2H3
InChIKeyRDLBREQNPMYZRG-UHFFFAOYSA-N
XLogP1.68
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethyl-1H-pyrrol-2-yl)acetate?
The IUPAC name of ethyl 2-(3-ethyl-1H-pyrrol-2-yl)acetate (CID 11206145) is ethyl 2-(3-ethyl-1H-pyrrol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-ethyl-1H-pyrrol-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-ethyl-1H-pyrrol-2-yl)acetate is CCOC(=O)Cc1[nH]ccc1CC.
What is the InChIKey of ethyl 2-(3-ethyl-1H-pyrrol-2-yl)acetate?
The InChIKey is RDLBREQNPMYZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-8-5-6-11-9(8)7-10(12)13-4-2/h5-6,11H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-(3-ethyl-1H-pyrrol-2-yl)acetate?
ethyl 2-(3-ethyl-1H-pyrrol-2-yl)acetate has a molecular weight of 181.23 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethyl-1H-pyrrol-2-yl)acetate is sourced from PubChem (CID 11206145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).