CID 18980861

C2H7B2N — CID 18980861

IUPAC—
SMILESCNC.[B][B]
InChIInChI=1S/C2H7N.B2/c1-3-2;1-2/h3H,1-2H3;
InChIKeyYLVZIKHTIOBYQX-UHFFFAOYSA-N
MW66.71 g/mol
LogP-0.93
Rot. Bonds

About CID 18980861

CID 18980861 (PubChem CID 18980861) has the molecular formula C2H7B2N and a molecular weight of 66.71 g/mol.

Molecular Properties

Compound NameCID 18980861
PubChem CID18980861
Molecular FormulaC2H7B2N
Molecular Weight66.71 g/mol
Exact Mass67.08
IUPAC Name—
SMILESCNC.[B][B]
InChIInChI=1S/C2H7N.B2/c1-3-2;1-2/h3H,1-2H3;
InChIKeyYLVZIKHTIOBYQX-UHFFFAOYSA-N
XLogP-0.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.71
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
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 18980861?
The IUPAC name of CID 18980861 (CID 18980861) is not available.
What is the SMILES notation for CID 18980861?
The canonical SMILES for CID 18980861 is CNC.[B][B].
What is the InChIKey of CID 18980861?
The InChIKey is YLVZIKHTIOBYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.B2/c1-3-2;1-2/h3H,1-2H3;.
What are the key properties of CID 18980861?
CID 18980861 has a molecular weight of 66.71 g/mol, XLogP of -0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18980861 is sourced from PubChem (CID 18980861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).