prop-2-ynenitrile

C3HN — CID 14055

IUPACprop-2-ynenitrile
SMILESC#CC#N
InChIInChI=1S/C3HN/c1-2-3-4/h1H
InChIKeyLNDJVIYUJOJFSO-UHFFFAOYSA-N
MW51.05 g/mol
LogP0.14
Rot. Bonds

About prop-2-ynenitrile

prop-2-ynenitrile (PubChem CID 14055) has the molecular formula C3HN and a molecular weight of 51.05 g/mol. Its IUPAC name is prop-2-ynenitrile.

Molecular Properties

Compound Nameprop-2-ynenitrile
PubChem CID14055
Molecular FormulaC3HN
Molecular Weight51.05 g/mol
Exact Mass51.01
IUPAC Nameprop-2-ynenitrile
SMILESC#CC#N
InChIInChI=1S/C3HN/c1-2-3-4/h1H
InChIKeyLNDJVIYUJOJFSO-UHFFFAOYSA-N
XLogP0.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50051.05
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-ynenitrile?
The IUPAC name of prop-2-ynenitrile (CID 14055) is prop-2-ynenitrile.
What is the SMILES notation for prop-2-ynenitrile?
The canonical SMILES for prop-2-ynenitrile is C#CC#N.
What is the InChIKey of prop-2-ynenitrile?
The InChIKey is LNDJVIYUJOJFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HN/c1-2-3-4/h1H.
What are the key properties of prop-2-ynenitrile?
prop-2-ynenitrile has a molecular weight of 51.05 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynenitrile is sourced from PubChem (CID 14055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).