CID 58928873

C4H4BNO2 — CID 58928873

IUPAC—
SMILES[B]N1C(=O)CCC1=O
InChIInChI=1S/C4H4BNO2/c5-6-3(7)1-2-4(6)8/h1-2H2
InChIKeyDCGHLJSGYZTOGV-UHFFFAOYSA-N
MW108.89 g/mol
LogP-0.78
Rot. Bonds

About CID 58928873

CID 58928873 (PubChem CID 58928873) has the molecular formula C4H4BNO2 and a molecular weight of 108.89 g/mol.

Molecular Properties

Compound NameCID 58928873
PubChem CID58928873
Molecular FormulaC4H4BNO2
Molecular Weight108.89 g/mol
Exact Mass109.03
IUPAC Name—
SMILES[B]N1C(=O)CCC1=O
InChIInChI=1S/C4H4BNO2/c5-6-3(7)1-2-4(6)8/h1-2H2
InChIKeyDCGHLJSGYZTOGV-UHFFFAOYSA-N
XLogP-0.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.89
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze CID 58928873 with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(2,5-dioxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2,5-dione
CID 58388473
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
CID 59806961
CID 59806961
1-bromopyrrolidine-2,5-dione;hydroiodide
CID 172714463
azane;1-hydroxypyrrolidine-2,5-dione
CID 11073454
tetrakis(1-hydroxypyrrolidine-2,5-dione);λ2-stannane
CID 173205649
1-bromopyrrolidine-2,5-dione;λ2-stannane
CID 174907562
1-(trimethylsilylmethyl)pyrrolidine-2,5-dione
CID 10103885
ethene;1-ethylpyrrolidine-2,5-dione
CID 143516533
1-hydroxy-5-sulfanylidenepyrrolidin-2-one
CID 140625506
ethene;1-hydroxypyrrolidine-2,5-dione
CID 142301114
carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
CID 52987775

Frequently Asked Questions

What is the IUPAC name of CID 58928873?
The IUPAC name of CID 58928873 (CID 58928873) is not available.
What is the SMILES notation for CID 58928873?
The canonical SMILES for CID 58928873 is [B]N1C(=O)CCC1=O.
What is the InChIKey of CID 58928873?
The InChIKey is DCGHLJSGYZTOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BNO2/c5-6-3(7)1-2-4(6)8/h1-2H2.
What are the key properties of CID 58928873?
CID 58928873 has a molecular weight of 108.89 g/mol, XLogP of -0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58928873 is sourced from PubChem (CID 58928873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).