1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride

C6H9ClN2O2 — CID 22118207

IUPAC1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride
SMILESCl.NCCN1C(=O)C=CC1=O
InChIInChI=1S/C6H8N2O2.ClH/c7-3-4-8-5(9)1-2-6(8)10;/h1-2H,3-4,7H2;1H
InChIKeyNJQOCRDPGFWEKA-UHFFFAOYSA-N
MW176.60 g/mol
LogP-0.71
Rot. Bonds2

About 1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride

1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride (PubChem CID 22118207) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride
PubChem CID22118207
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC Name1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride
SMILESCl.NCCN1C(=O)C=CC1=O
InChIInChI=1S/C6H8N2O2.ClH/c7-3-4-8-5(9)1-2-6(8)10;/h1-2H,3-4,7H2;1H
InChIKeyNJQOCRDPGFWEKA-UHFFFAOYSA-N
XLogP-0.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride (CID 22118207) is 1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride is Cl.NCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride?
The InChIKey is NJQOCRDPGFWEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.ClH/c7-3-4-8-5(9)1-2-6(8)10;/h1-2H,3-4,7H2;1H.
What are the key properties of 1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride?
1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride has a molecular weight of 176.60 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 22118207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).