[cyano(propan-2-yl)boranyl]formonitrile

C5H7BN2 — CID 19024397

IUPAC[cyano(propan-2-yl)boranyl]formonitrile
SMILESCC(C)B(C#N)C#N
InChIInChI=1S/C5H7BN2/c1-5(2)6(3-7)4-8/h5H,1-2H3
InChIKeyLCYRAYYCOBAPRI-UHFFFAOYSA-N
MW105.94 g/mol
LogP1.02
Rot. Bonds1

About [cyano(propan-2-yl)boranyl]formonitrile

[cyano(propan-2-yl)boranyl]formonitrile (PubChem CID 19024397) has the molecular formula C5H7BN2 and a molecular weight of 105.94 g/mol. Its IUPAC name is [cyano(propan-2-yl)boranyl]formonitrile.

Molecular Properties

Compound Name[cyano(propan-2-yl)boranyl]formonitrile
PubChem CID19024397
Molecular FormulaC5H7BN2
Molecular Weight105.94 g/mol
Exact Mass106.07
IUPAC Name[cyano(propan-2-yl)boranyl]formonitrile
SMILESCC(C)B(C#N)C#N
InChIInChI=1S/C5H7BN2/c1-5(2)6(3-7)4-8/h5H,1-2H3
InChIKeyLCYRAYYCOBAPRI-UHFFFAOYSA-N
XLogP1.02
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.94
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [cyano(propan-2-yl)boranyl]formonitrile?
The IUPAC name of [cyano(propan-2-yl)boranyl]formonitrile (CID 19024397) is [cyano(propan-2-yl)boranyl]formonitrile.
What is the SMILES notation for [cyano(propan-2-yl)boranyl]formonitrile?
The canonical SMILES for [cyano(propan-2-yl)boranyl]formonitrile is CC(C)B(C#N)C#N.
What is the InChIKey of [cyano(propan-2-yl)boranyl]formonitrile?
The InChIKey is LCYRAYYCOBAPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BN2/c1-5(2)6(3-7)4-8/h5H,1-2H3.
What are the key properties of [cyano(propan-2-yl)boranyl]formonitrile?
[cyano(propan-2-yl)boranyl]formonitrile has a molecular weight of 105.94 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano(propan-2-yl)boranyl]formonitrile is sourced from PubChem (CID 19024397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).