CID 157168735

C3H11BNRe-2 — CID 157168735

IUPAC—
SMILESCC.[B].[CH3-].[NH2-].[Re]
InChIInChI=1S/C2H6.CH3.B.H2N.Re/c1-2;;;;/h1-2H3;1H3;;1H2;/q;-1;;-1;
InChIKeyGQNBFCNDTSMPRL-UHFFFAOYSA-N
MW258.15 g/mol
LogP1.81
Rot. Bonds

About CID 157168735

CID 157168735 (PubChem CID 157168735) has the molecular formula C3H11BNRe-2 and a molecular weight of 258.15 g/mol.

Molecular Properties

Compound NameCID 157168735
PubChem CID157168735
Molecular FormulaC3H11BNRe-2
Molecular Weight258.15 g/mol
Exact Mass259.06
IUPAC Name—
SMILESCC.[B].[CH3-].[NH2-].[Re]
InChIInChI=1S/C2H6.CH3.B.H2N.Re/c1-2;;;;/h1-2H3;1H3;;1H2;/q;-1;;-1;
InChIKeyGQNBFCNDTSMPRL-UHFFFAOYSA-N
XLogP1.81
TPSA33.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157168735?
The IUPAC name of CID 157168735 (CID 157168735) is not available.
What is the SMILES notation for CID 157168735?
The canonical SMILES for CID 157168735 is CC.[B].[CH3-].[NH2-].[Re].
What is the InChIKey of CID 157168735?
The InChIKey is GQNBFCNDTSMPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.CH3.B.H2N.Re/c1-2;;;;/h1-2H3;1H3;;1H2;/q;-1;;-1;.
What are the key properties of CID 157168735?
CID 157168735 has a molecular weight of 258.15 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157168735 is sourced from PubChem (CID 157168735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).