CID 14482821

C2H3BN — CID 14482821

IUPAC—
SMILESC[B]C#N
InChIInChI=1S/C2H3BN/c1-3-2-4/h1H3
InChIKeyAUVLENHWPKRPMO-UHFFFAOYSA-N
MW51.86 g/mol
LogP0.22
Rot. Bonds

About CID 14482821

CID 14482821 (PubChem CID 14482821) has the molecular formula C2H3BN and a molecular weight of 51.86 g/mol.

Molecular Properties

Compound NameCID 14482821
PubChem CID14482821
Molecular FormulaC2H3BN
Molecular Weight51.86 g/mol
Exact Mass52.04
IUPAC Name—
SMILESC[B]C#N
InChIInChI=1S/C2H3BN/c1-3-2-4/h1H3
InChIKeyAUVLENHWPKRPMO-UHFFFAOYSA-N
XLogP0.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50051.86
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 14482821?
The IUPAC name of CID 14482821 (CID 14482821) is not available.
What is the SMILES notation for CID 14482821?
The canonical SMILES for CID 14482821 is C[B]C#N.
What is the InChIKey of CID 14482821?
The InChIKey is AUVLENHWPKRPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BN/c1-3-2-4/h1H3.
What are the key properties of CID 14482821?
CID 14482821 has a molecular weight of 51.86 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14482821 is sourced from PubChem (CID 14482821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).