dipropylboranylformonitrile

C7H14BN — CID 153387579

IUPACdipropylboranylformonitrile
SMILESCCCB(C#N)CCC
InChIInChI=1S/C7H14BN/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3
InChIKeyDLKCJRFIQWTNFM-UHFFFAOYSA-N
MW123.01 g/mol
LogP2.36
Rot. Bonds4

About dipropylboranylformonitrile

dipropylboranylformonitrile (PubChem CID 153387579) has the molecular formula C7H14BN and a molecular weight of 123.01 g/mol. Its IUPAC name is dipropylboranylformonitrile.

Molecular Properties

Compound Namedipropylboranylformonitrile
PubChem CID153387579
Molecular FormulaC7H14BN
Molecular Weight123.01 g/mol
Exact Mass123.12
IUPAC Namedipropylboranylformonitrile
SMILESCCCB(C#N)CCC
InChIInChI=1S/C7H14BN/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3
InChIKeyDLKCJRFIQWTNFM-UHFFFAOYSA-N
XLogP2.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.01
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 dipropylboranylformonitrile?
The IUPAC name of dipropylboranylformonitrile (CID 153387579) is dipropylboranylformonitrile.
What is the SMILES notation for dipropylboranylformonitrile?
The canonical SMILES for dipropylboranylformonitrile is CCCB(C#N)CCC.
What is the InChIKey of dipropylboranylformonitrile?
The InChIKey is DLKCJRFIQWTNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BN/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3.
What are the key properties of dipropylboranylformonitrile?
dipropylboranylformonitrile has a molecular weight of 123.01 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylboranylformonitrile is sourced from PubChem (CID 153387579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).