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

C6H9ClN2O2 — CID 18671274

IUPAC1-(ethylamino)pyrrole-2,5-dione;hydrochloride
SMILESCCNN1C(=O)C=CC1=O.Cl
InChIInChI=1S/C6H8N2O2.ClH/c1-2-7-8-5(9)3-4-6(8)10;/h3-4,7H,2H2,1H3;1H
InChIKeyQUHGYTINTYHZQQ-UHFFFAOYSA-N
MW176.60 g/mol
LogP-0.14
Rot. Bonds2

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

1-(ethylamino)pyrrole-2,5-dione;hydrochloride (PubChem CID 18671274) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is 1-(ethylamino)pyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-(ethylamino)pyrrole-2,5-dione;hydrochloride
PubChem CID18671274
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC Name1-(ethylamino)pyrrole-2,5-dione;hydrochloride
SMILESCCNN1C(=O)C=CC1=O.Cl
InChIInChI=1S/C6H8N2O2.ClH/c1-2-7-8-5(9)3-4-6(8)10;/h3-4,7H,2H2,1H3;1H
InChIKeyQUHGYTINTYHZQQ-UHFFFAOYSA-N
XLogP-0.14
TPSA49.41 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 ≤ 5-0.14
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-(ethylamino)pyrrole-2,5-dione;hydrochloride?
The IUPAC name of 1-(ethylamino)pyrrole-2,5-dione;hydrochloride (CID 18671274) is 1-(ethylamino)pyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for 1-(ethylamino)pyrrole-2,5-dione;hydrochloride?
The canonical SMILES for 1-(ethylamino)pyrrole-2,5-dione;hydrochloride is CCNN1C(=O)C=CC1=O.Cl.
What is the InChIKey of 1-(ethylamino)pyrrole-2,5-dione;hydrochloride?
The InChIKey is QUHGYTINTYHZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.ClH/c1-2-7-8-5(9)3-4-6(8)10;/h3-4,7H,2H2,1H3;1H.
What are the key properties of 1-(ethylamino)pyrrole-2,5-dione;hydrochloride?
1-(ethylamino)pyrrole-2,5-dione;hydrochloride has a molecular weight of 176.60 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)pyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 18671274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).