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

C13H22N2O2 — CID 105422054

IUPACethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CCN(CC)CC
InChIInChI=1S/C13H22N2O2/c1-4-14(5-2)10-11-15-9-7-8-12(15)13(16)17-6-3/h7-9H,4-6,10-11H2,1-3H3
InChIKeyJZZJYMWHXJQIHK-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.01
Rot. Bonds7

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

ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate (PubChem CID 105422054) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate
PubChem CID105422054
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Nameethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CCN(CC)CC
InChIInChI=1S/C13H22N2O2/c1-4-14(5-2)10-11-15-9-7-8-12(15)13(16)17-6-3/h7-9H,4-6,10-11H2,1-3H3
InChIKeyJZZJYMWHXJQIHK-UHFFFAOYSA-N
XLogP2.01
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate (CID 105422054) is ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate is CCOC(=O)c1cccn1CCN(CC)CC.
What is the InChIKey of ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate?
The InChIKey is JZZJYMWHXJQIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-14(5-2)10-11-15-9-7-8-12(15)13(16)17-6-3/h7-9H,4-6,10-11H2,1-3H3.
What are the key properties of ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate?
ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate is sourced from PubChem (CID 105422054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).