ethanamine;pyrrole-2,5-dione;hydrochloride

C6H11ClN2O2 — CID 172757676

IUPACethanamine;pyrrole-2,5-dione;hydrochloride
SMILESCCN.Cl.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C2H7N.ClH/c6-3-1-2-4(7)5-3;1-2-3;/h1-2H,(H,5,6,7);2-3H2,1H3;1H
InChIKeyLGFHIASNNBVWKD-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.41
Rot. Bonds

About ethanamine;pyrrole-2,5-dione;hydrochloride

ethanamine;pyrrole-2,5-dione;hydrochloride (PubChem CID 172757676) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is ethanamine;pyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Nameethanamine;pyrrole-2,5-dione;hydrochloride
PubChem CID172757676
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Nameethanamine;pyrrole-2,5-dione;hydrochloride
SMILESCCN.Cl.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C2H7N.ClH/c6-3-1-2-4(7)5-3;1-2-3;/h1-2H,(H,5,6,7);2-3H2,1H3;1H
InChIKeyLGFHIASNNBVWKD-UHFFFAOYSA-N
XLogP-0.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
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 ethanamine;pyrrole-2,5-dione;hydrochloride?
The IUPAC name of ethanamine;pyrrole-2,5-dione;hydrochloride (CID 172757676) is ethanamine;pyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for ethanamine;pyrrole-2,5-dione;hydrochloride?
The canonical SMILES for ethanamine;pyrrole-2,5-dione;hydrochloride is CCN.Cl.O=C1C=CC(=O)N1.
What is the InChIKey of ethanamine;pyrrole-2,5-dione;hydrochloride?
The InChIKey is LGFHIASNNBVWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.C2H7N.ClH/c6-3-1-2-4(7)5-3;1-2-3;/h1-2H,(H,5,6,7);2-3H2,1H3;1H.
What are the key properties of ethanamine;pyrrole-2,5-dione;hydrochloride?
ethanamine;pyrrole-2,5-dione;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;pyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 172757676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).