CID 160590012

C4H9BN — CID 160590012

IUPAC—
SMILESCC.[B].[C-]#[N+]C
InChIInChI=1S/C2H3N.C2H6.B/c1-3-2;1-2;/h1H3;1-2H3;
InChIKeyWXNCRIYIGGXLMS-UHFFFAOYSA-N
MW81.93 g/mol
LogP1.18
Rot. Bonds

About CID 160590012

CID 160590012 (PubChem CID 160590012) has the molecular formula C4H9BN and a molecular weight of 81.93 g/mol.

Molecular Properties

Compound NameCID 160590012
PubChem CID160590012
Molecular FormulaC4H9BN
Molecular Weight81.93 g/mol
Exact Mass82.08
IUPAC Name—
SMILESCC.[B].[C-]#[N+]C
InChIInChI=1S/C2H3N.C2H6.B/c1-3-2;1-2;/h1H3;1-2H3;
InChIKeyWXNCRIYIGGXLMS-UHFFFAOYSA-N
XLogP1.18
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.93
LogP ≤ 51.18
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 160590012?
The IUPAC name of CID 160590012 (CID 160590012) is not available.
What is the SMILES notation for CID 160590012?
The canonical SMILES for CID 160590012 is CC.[B].[C-]#[N+]C.
What is the InChIKey of CID 160590012?
The InChIKey is WXNCRIYIGGXLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.C2H6.B/c1-3-2;1-2;/h1H3;1-2H3;.
What are the key properties of CID 160590012?
CID 160590012 has a molecular weight of 81.93 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160590012 is sourced from PubChem (CID 160590012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).