but-2-enenitrile;pyridine

C9H10N2 — CID 174459657

IUPACbut-2-enenitrile;pyridine
SMILESCC=CC#N.c1ccncc1
InChIInChI=1S/C5H5N.C4H5N/c1-2-4-6-5-3-1;1-2-3-4-5/h1-5H;2-3H,1H3
InChIKeyKFFZDRYLFONTLV-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.17
Rot. Bonds

About but-2-enenitrile;pyridine

but-2-enenitrile;pyridine (PubChem CID 174459657) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is but-2-enenitrile;pyridine.

Molecular Properties

Compound Namebut-2-enenitrile;pyridine
PubChem CID174459657
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Namebut-2-enenitrile;pyridine
SMILESCC=CC#N.c1ccncc1
InChIInChI=1S/C5H5N.C4H5N/c1-2-4-6-5-3-1;1-2-3-4-5/h1-5H;2-3H,1H3
InChIKeyKFFZDRYLFONTLV-UHFFFAOYSA-N
XLogP2.17
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-2-enenitrile;pyridine?
The IUPAC name of but-2-enenitrile;pyridine (CID 174459657) is but-2-enenitrile;pyridine.
What is the SMILES notation for but-2-enenitrile;pyridine?
The canonical SMILES for but-2-enenitrile;pyridine is CC=CC#N.c1ccncc1.
What is the InChIKey of but-2-enenitrile;pyridine?
The InChIKey is KFFZDRYLFONTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H5N/c1-2-4-6-5-3-1;1-2-3-4-5/h1-5H;2-3H,1H3.
What are the key properties of but-2-enenitrile;pyridine?
but-2-enenitrile;pyridine has a molecular weight of 146.19 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enenitrile;pyridine is sourced from PubChem (CID 174459657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).