propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate

C13H22N2O2 — CID 79102262

IUPACpropan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate
SMILESCCNC(C)c1cccn1CC(=O)OC(C)C
InChIInChI=1S/C13H22N2O2/c1-5-14-11(4)12-7-6-8-15(12)9-13(16)17-10(2)3/h6-8,10-11,14H,5,9H2,1-4H3
InChIKeyJQQMVUVWQINYOZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.11
Rot. Bonds6

About propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate

propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate (PubChem CID 79102262) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate
PubChem CID79102262
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Namepropan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate
SMILESCCNC(C)c1cccn1CC(=O)OC(C)C
InChIInChI=1S/C13H22N2O2/c1-5-14-11(4)12-7-6-8-15(12)9-13(16)17-10(2)3/h6-8,10-11,14H,5,9H2,1-4H3
InChIKeyJQQMVUVWQINYOZ-UHFFFAOYSA-N
XLogP2.11
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate (CID 79102262) is propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate is CCNC(C)c1cccn1CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate?
The InChIKey is JQQMVUVWQINYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-14-11(4)12-7-6-8-15(12)9-13(16)17-10(2)3/h6-8,10-11,14H,5,9H2,1-4H3.
What are the key properties of propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate?
propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate has a molecular weight of 238.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate is sourced from PubChem (CID 79102262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).