cyanamide;pyrrole-2,5-dione

C5H5N3O2 — CID 22338697

IUPACcyanamide;pyrrole-2,5-dione
SMILESN#CN.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.CH2N2/c6-3-1-2-4(7)5-3;2-1-3/h1-2H,(H,5,6,7);2H2
InChIKeySTGFVXFVONXBRW-UHFFFAOYSA-N
MW139.11 g/mol
LogP-1.37
Rot. Bonds

About cyanamide;pyrrole-2,5-dione

cyanamide;pyrrole-2,5-dione (PubChem CID 22338697) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is cyanamide;pyrrole-2,5-dione.

Molecular Properties

Compound Namecyanamide;pyrrole-2,5-dione
PubChem CID22338697
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Namecyanamide;pyrrole-2,5-dione
SMILESN#CN.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.CH2N2/c6-3-1-2-4(7)5-3;2-1-3/h1-2H,(H,5,6,7);2H2
InChIKeySTGFVXFVONXBRW-UHFFFAOYSA-N
XLogP-1.37
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze cyanamide;pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyanamide;pyrrole-2,5-dione?
The IUPAC name of cyanamide;pyrrole-2,5-dione (CID 22338697) is cyanamide;pyrrole-2,5-dione.
What is the SMILES notation for cyanamide;pyrrole-2,5-dione?
The canonical SMILES for cyanamide;pyrrole-2,5-dione is N#CN.O=C1C=CC(=O)N1.
What is the InChIKey of cyanamide;pyrrole-2,5-dione?
The InChIKey is STGFVXFVONXBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.CH2N2/c6-3-1-2-4(7)5-3;2-1-3/h1-2H,(H,5,6,7);2H2.
What are the key properties of cyanamide;pyrrole-2,5-dione?
cyanamide;pyrrole-2,5-dione has a molecular weight of 139.11 g/mol, XLogP of -1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanamide;pyrrole-2,5-dione is sourced from PubChem (CID 22338697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).