ethanamine;pyrrole-2,5-dione

C6H10N2O2 — CID 23502083

IUPACethanamine;pyrrole-2,5-dione
SMILESCCN.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C2H7N/c6-3-1-2-4(7)5-3;1-2-3/h1-2H,(H,5,6,7);2-3H2,1H3
InChIKeyUEQBQENWTSTNBD-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.84
Rot. Bonds

About ethanamine;pyrrole-2,5-dione

ethanamine;pyrrole-2,5-dione (PubChem CID 23502083) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is ethanamine;pyrrole-2,5-dione.

Molecular Properties

Compound Nameethanamine;pyrrole-2,5-dione
PubChem CID23502083
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Nameethanamine;pyrrole-2,5-dione
SMILESCCN.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C2H7N/c6-3-1-2-4(7)5-3;1-2-3/h1-2H,(H,5,6,7);2-3H2,1H3
InChIKeyUEQBQENWTSTNBD-UHFFFAOYSA-N
XLogP-0.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.84
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?
The IUPAC name of ethanamine;pyrrole-2,5-dione (CID 23502083) is ethanamine;pyrrole-2,5-dione.
What is the SMILES notation for ethanamine;pyrrole-2,5-dione?
The canonical SMILES for ethanamine;pyrrole-2,5-dione is CCN.O=C1C=CC(=O)N1.
What is the InChIKey of ethanamine;pyrrole-2,5-dione?
The InChIKey is UEQBQENWTSTNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.C2H7N/c6-3-1-2-4(7)5-3;1-2-3/h1-2H,(H,5,6,7);2-3H2,1H3.
What are the key properties of ethanamine;pyrrole-2,5-dione?
ethanamine;pyrrole-2,5-dione has a molecular weight of 142.16 g/mol, XLogP of -0.84, 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 is sourced from PubChem (CID 23502083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).