ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate

C11H17NO4 — CID 105422074

IUPACethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CCOCCO
InChIInChI=1S/C11H17NO4/c1-2-16-11(14)10-4-3-5-12(10)6-8-15-9-7-13/h3-5,13H,2,6-9H2,1H3
InChIKeySAKKIAJWOKMMGP-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.67
Rot. Bonds7

About ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate

ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate (PubChem CID 105422074) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate
PubChem CID105422074
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nameethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CCOCCO
InChIInChI=1S/C11H17NO4/c1-2-16-11(14)10-4-3-5-12(10)6-8-15-9-7-13/h3-5,13H,2,6-9H2,1H3
InChIKeySAKKIAJWOKMMGP-UHFFFAOYSA-N
XLogP0.67
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate (CID 105422074) is ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate is CCOC(=O)c1cccn1CCOCCO.
What is the InChIKey of ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate?
The InChIKey is SAKKIAJWOKMMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-16-11(14)10-4-3-5-12(10)6-8-15-9-7-13/h3-5,13H,2,6-9H2,1H3.
What are the key properties of ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate?
ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate is sourced from PubChem (CID 105422074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).