CID 150210329

C2H2BNO — CID 150210329

IUPAC—
SMILES[B]CN=C=O
InChIInChI=1S/C2H2BNO/c3-1-4-2-5/h1H2
InChIKeyFRIQMXLSFRITFN-UHFFFAOYSA-N
MW66.86 g/mol
LogP-0.55
Rot. Bonds1

About CID 150210329

CID 150210329 (PubChem CID 150210329) has the molecular formula C2H2BNO and a molecular weight of 66.86 g/mol.

Molecular Properties

Compound NameCID 150210329
PubChem CID150210329
Molecular FormulaC2H2BNO
Molecular Weight66.86 g/mol
Exact Mass67.02
IUPAC Name—
SMILES[B]CN=C=O
InChIInChI=1S/C2H2BNO/c3-1-4-2-5/h1H2
InChIKeyFRIQMXLSFRITFN-UHFFFAOYSA-N
XLogP-0.55
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.86
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 150210329?
The IUPAC name of CID 150210329 (CID 150210329) is not available.
What is the SMILES notation for CID 150210329?
The canonical SMILES for CID 150210329 is [B]CN=C=O.
What is the InChIKey of CID 150210329?
The InChIKey is FRIQMXLSFRITFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2BNO/c3-1-4-2-5/h1H2.
What are the key properties of CID 150210329?
CID 150210329 has a molecular weight of 66.86 g/mol, XLogP of -0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150210329 is sourced from PubChem (CID 150210329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).