N-ethylhydroxylamine;pyrrole-2,5-dione

C6H10N2O3 — CID 174604531

IUPACN-ethylhydroxylamine;pyrrole-2,5-dione
SMILESCCNO.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C2H7NO/c6-3-1-2-4(7)5-3;1-2-3-4/h1-2H,(H,5,6,7);3-4H,2H2,1H3
InChIKeyOTGGJIPYUSQPBW-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.82
Rot. Bonds1

About N-ethylhydroxylamine;pyrrole-2,5-dione

N-ethylhydroxylamine;pyrrole-2,5-dione (PubChem CID 174604531) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is N-ethylhydroxylamine;pyrrole-2,5-dione.

Molecular Properties

Compound NameN-ethylhydroxylamine;pyrrole-2,5-dione
PubChem CID174604531
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC NameN-ethylhydroxylamine;pyrrole-2,5-dione
SMILESCCNO.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C2H7NO/c6-3-1-2-4(7)5-3;1-2-3-4/h1-2H,(H,5,6,7);3-4H,2H2,1H3
InChIKeyOTGGJIPYUSQPBW-UHFFFAOYSA-N
XLogP-0.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylhydroxylamine;pyrrole-2,5-dione?
The IUPAC name of N-ethylhydroxylamine;pyrrole-2,5-dione (CID 174604531) is N-ethylhydroxylamine;pyrrole-2,5-dione.
What is the SMILES notation for N-ethylhydroxylamine;pyrrole-2,5-dione?
The canonical SMILES for N-ethylhydroxylamine;pyrrole-2,5-dione is CCNO.O=C1C=CC(=O)N1.
What is the InChIKey of N-ethylhydroxylamine;pyrrole-2,5-dione?
The InChIKey is OTGGJIPYUSQPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.C2H7NO/c6-3-1-2-4(7)5-3;1-2-3-4/h1-2H,(H,5,6,7);3-4H,2H2,1H3.
What are the key properties of N-ethylhydroxylamine;pyrrole-2,5-dione?
N-ethylhydroxylamine;pyrrole-2,5-dione has a molecular weight of 158.16 g/mol, XLogP of -0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylhydroxylamine;pyrrole-2,5-dione is sourced from PubChem (CID 174604531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).