CID 162284166

C4H11BN — CID 162284166

IUPAC—
SMILESCC.CN1[B]C1
InChIInChI=1S/C2H5BN.C2H6/c1-4-2-3-4;1-2/h2H2,1H3;1-2H3
InChIKeyCDZFCWVPQGAUPA-UHFFFAOYSA-N
MW83.95 g/mol
LogP0.53
Rot. Bonds

About CID 162284166

CID 162284166 (PubChem CID 162284166) has the molecular formula C4H11BN and a molecular weight of 83.95 g/mol.

Molecular Properties

Compound NameCID 162284166
PubChem CID162284166
Molecular FormulaC4H11BN
Molecular Weight83.95 g/mol
Exact Mass84.10
IUPAC Name—
SMILESCC.CN1[B]C1
InChIInChI=1S/C2H5BN.C2H6/c1-4-2-3-4;1-2/h2H2,1H3;1-2H3
InChIKeyCDZFCWVPQGAUPA-UHFFFAOYSA-N
XLogP0.53
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.95
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162284166?
The IUPAC name of CID 162284166 (CID 162284166) is not available.
What is the SMILES notation for CID 162284166?
The canonical SMILES for CID 162284166 is CC.CN1[B]C1.
What is the InChIKey of CID 162284166?
The InChIKey is CDZFCWVPQGAUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BN.C2H6/c1-4-2-3-4;1-2/h2H2,1H3;1-2H3.
What are the key properties of CID 162284166?
CID 162284166 has a molecular weight of 83.95 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162284166 is sourced from PubChem (CID 162284166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).