but-1-ene;formonitrile

C5H9N — CID 175774246

IUPACbut-1-ene;formonitrile
SMILESC#N.C=CCC
InChIInChI=1S/C4H8.CHN/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H
InChIKeySMINCAIYZOUHEM-UHFFFAOYSA-N
MW83.13 g/mol
LogP1.72
Rot. Bonds1

About but-1-ene;formonitrile

but-1-ene;formonitrile (PubChem CID 175774246) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is but-1-ene;formonitrile.

Molecular Properties

Compound Namebut-1-ene;formonitrile
PubChem CID175774246
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Namebut-1-ene;formonitrile
SMILESC#N.C=CCC
InChIInChI=1S/C4H8.CHN/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H
InChIKeySMINCAIYZOUHEM-UHFFFAOYSA-N
XLogP1.72
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-ene;formonitrile?
The IUPAC name of but-1-ene;formonitrile (CID 175774246) is but-1-ene;formonitrile.
What is the SMILES notation for but-1-ene;formonitrile?
The canonical SMILES for but-1-ene;formonitrile is C#N.C=CCC.
What is the InChIKey of but-1-ene;formonitrile?
The InChIKey is SMINCAIYZOUHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.CHN/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H.
What are the key properties of but-1-ene;formonitrile?
but-1-ene;formonitrile has a molecular weight of 83.13 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;formonitrile is sourced from PubChem (CID 175774246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).