1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride

C8H13ClN2O3 — CID 91667266

IUPAC1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride
SMILESCl.NCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H12N2O3.ClH/c9-3-5-13-6-4-10-7(11)1-2-8(10)12;/h1-2H,3-6,9H2;1H
InChIKeyAGVJYGXSVAUZGV-UHFFFAOYSA-N
MW220.66 g/mol
LogP-0.69
Rot. Bonds5

About 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride

1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride (PubChem CID 91667266) has the molecular formula C8H13ClN2O3 and a molecular weight of 220.66 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride
PubChem CID91667266
Molecular FormulaC8H13ClN2O3
Molecular Weight220.66 g/mol
Exact Mass220.06
IUPAC Name1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride
SMILESCl.NCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H12N2O3.ClH/c9-3-5-13-6-4-10-7(11)1-2-8(10)12;/h1-2H,3-6,9H2;1H
InChIKeyAGVJYGXSVAUZGV-UHFFFAOYSA-N
XLogP-0.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride?
The IUPAC name of 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride (CID 91667266) is 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride is Cl.NCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride?
The InChIKey is AGVJYGXSVAUZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3.ClH/c9-3-5-13-6-4-10-7(11)1-2-8(10)12;/h1-2H,3-6,9H2;1H.
What are the key properties of 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride?
1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride has a molecular weight of 220.66 g/mol, XLogP of -0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 91667266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).