CID 59188522

C3H9BNU- — CID 59188522

IUPAC—
SMILESC[N-]C.[B]C.[U]
InChIInChI=1S/C2H6N.CH3B.U/c1-3-2;1-2;/h1-2H3;1H3;/q-1;;
InChIKeyVWJXMBOQFQXRED-UHFFFAOYSA-N
MW307.95 g/mol
LogP0.82
Rot. Bonds

About CID 59188522

CID 59188522 (PubChem CID 59188522) has the molecular formula C3H9BNU- and a molecular weight of 307.95 g/mol.

Molecular Properties

Compound NameCID 59188522
PubChem CID59188522
Molecular FormulaC3H9BNU-
Molecular Weight307.95 g/mol
Exact Mass308.13
IUPAC Name—
SMILESC[N-]C.[B]C.[U]
InChIInChI=1S/C2H6N.CH3B.U/c1-3-2;1-2;/h1-2H3;1H3;/q-1;;
InChIKeyVWJXMBOQFQXRED-UHFFFAOYSA-N
XLogP0.82
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.95
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 59188522 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 CID 59188522?
The IUPAC name of CID 59188522 (CID 59188522) is not available.
What is the SMILES notation for CID 59188522?
The canonical SMILES for CID 59188522 is C[N-]C.[B]C.[U].
What is the InChIKey of CID 59188522?
The InChIKey is VWJXMBOQFQXRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N.CH3B.U/c1-3-2;1-2;/h1-2H3;1H3;/q-1;;.
What are the key properties of CID 59188522?
CID 59188522 has a molecular weight of 307.95 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59188522 is sourced from PubChem (CID 59188522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).