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

C5H10BN — CID 143180902

IUPAC[methyl(propan-2-yl)boranyl]formonitrile
SMILESCB(C#N)C(C)C
InChIInChI=1S/C5H10BN/c1-5(2)6(3)4-7/h5H,1-3H3
InChIKeyLYAQTBYXMVKJLE-UHFFFAOYSA-N
MW94.95 g/mol
LogP1.58
Rot. Bonds1

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

[methyl(propan-2-yl)boranyl]formonitrile (PubChem CID 143180902) has the molecular formula C5H10BN and a molecular weight of 94.95 g/mol. Its IUPAC name is [methyl(propan-2-yl)boranyl]formonitrile.

Molecular Properties

Compound Name[methyl(propan-2-yl)boranyl]formonitrile
PubChem CID143180902
Molecular FormulaC5H10BN
Molecular Weight94.95 g/mol
Exact Mass95.09
IUPAC Name[methyl(propan-2-yl)boranyl]formonitrile
SMILESCB(C#N)C(C)C
InChIInChI=1S/C5H10BN/c1-5(2)6(3)4-7/h5H,1-3H3
InChIKeyLYAQTBYXMVKJLE-UHFFFAOYSA-N
XLogP1.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.95
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Di-n-butylboron cyanide
CID 129735407
Potassium cyano(triethyl)boranuide
CID 23689584
CID 134889751
CID 134889751
[Cyano(propan-2-yl)boranyl]formonitrile
CID 19024397
Dicyano(diethyl)boranuide
CID 89388981
Potassium butyl(tricyano)boranuide
CID 89389022
Butyl(tricyano)boranuide
CID 89389023
Dicyano-ethyl-methylboranuide
CID 89389313
CID 142819343
CID 142819343
[Ethyl(propyl)boranyl]formonitrile
CID 145274036
Dipropylboranylformonitrile
CID 153387579
Propane cyanide
CID 157654080

Frequently Asked Questions

What is the IUPAC name of [methyl(propan-2-yl)boranyl]formonitrile?
The IUPAC name of [methyl(propan-2-yl)boranyl]formonitrile (CID 143180902) is [methyl(propan-2-yl)boranyl]formonitrile.
What is the SMILES notation for [methyl(propan-2-yl)boranyl]formonitrile?
The canonical SMILES for [methyl(propan-2-yl)boranyl]formonitrile is CB(C#N)C(C)C.
What is the InChIKey of [methyl(propan-2-yl)boranyl]formonitrile?
The InChIKey is LYAQTBYXMVKJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BN/c1-5(2)6(3)4-7/h5H,1-3H3.
What are the key properties of [methyl(propan-2-yl)boranyl]formonitrile?
[methyl(propan-2-yl)boranyl]formonitrile has a molecular weight of 94.95 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(propan-2-yl)boranyl]formonitrile is sourced from PubChem (CID 143180902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).