oxomethylidenehydrazine;pyrrole-2,5-dione

C5H5N3O3 — CID 158643805

IUPACoxomethylidenehydrazine;pyrrole-2,5-dione
SMILESNN=C=O.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.CH2N2O/c6-3-1-2-4(7)5-3;2-3-1-4/h1-2H,(H,5,6,7);2H2
InChIKeyIASFPQSBSBTKCL-UHFFFAOYSA-N
MW155.11 g/mol
LogP-1.61
Rot. Bonds

About oxomethylidenehydrazine;pyrrole-2,5-dione

oxomethylidenehydrazine;pyrrole-2,5-dione (PubChem CID 158643805) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is oxomethylidenehydrazine;pyrrole-2,5-dione.

Molecular Properties

Compound Nameoxomethylidenehydrazine;pyrrole-2,5-dione
PubChem CID158643805
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Nameoxomethylidenehydrazine;pyrrole-2,5-dione
SMILESNN=C=O.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.CH2N2O/c6-3-1-2-4(7)5-3;2-3-1-4/h1-2H,(H,5,6,7);2H2
InChIKeyIASFPQSBSBTKCL-UHFFFAOYSA-N
XLogP-1.61
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

pyrrole-2,5-dione;sulfane
CID 87579772
methane;tetrakis(pyrrole-2,5-dione)
CID 173442855
sodium;hydride;pyrrole-2,5-dione
CID 173235296
hydron;pyrrole-2,5-dione;chloride
CID 66670805
pyrrole-2,5-dione;sulfur monoxide
CID 67998001
CID 66738743
CID 66738743
propane-1,3-diamine;pyrrole-2,5-dione
CID 118387813
pyrrole-2,5-dione;sulfurous acid
CID 159001370
ethane-1,1-diol;pyrrole-2,5-dione
CID 129050540
buta-1,3-diene;prop-2-enenitrile;bis(pyrrole-2,5-dione)
CID 86584103
heptane;pyrrole-2,5-dione
CID 159979894
sodium;pyrrole-2,5-dione;acetate
CID 174944502

Frequently Asked Questions

What is the IUPAC name of oxomethylidenehydrazine;pyrrole-2,5-dione?
The IUPAC name of oxomethylidenehydrazine;pyrrole-2,5-dione (CID 158643805) is oxomethylidenehydrazine;pyrrole-2,5-dione.
What is the SMILES notation for oxomethylidenehydrazine;pyrrole-2,5-dione?
The canonical SMILES for oxomethylidenehydrazine;pyrrole-2,5-dione is NN=C=O.O=C1C=CC(=O)N1.
What is the InChIKey of oxomethylidenehydrazine;pyrrole-2,5-dione?
The InChIKey is IASFPQSBSBTKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.CH2N2O/c6-3-1-2-4(7)5-3;2-3-1-4/h1-2H,(H,5,6,7);2H2.
What are the key properties of oxomethylidenehydrazine;pyrrole-2,5-dione?
oxomethylidenehydrazine;pyrrole-2,5-dione has a molecular weight of 155.11 g/mol, XLogP of -1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxomethylidenehydrazine;pyrrole-2,5-dione is sourced from PubChem (CID 158643805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).