2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile

C11H9N3 — CID 124938326

IUPAC2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile
SMILESC=CCN1C=CC=CC1=C(C#N)C#N
InChIInChI=1S/C11H9N3/c1-2-6-14-7-4-3-5-11(14)10(8-12)9-13/h2-5,7H,1,6H2
InChIKeyLTUNALRPLQOEIO-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.86
Rot. Bonds2

About 2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile

2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile (PubChem CID 124938326) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile
PubChem CID124938326
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile
SMILESC=CCN1C=CC=CC1=C(C#N)C#N
InChIInChI=1S/C11H9N3/c1-2-6-14-7-4-3-5-11(14)10(8-12)9-13/h2-5,7H,1,6H2
InChIKeyLTUNALRPLQOEIO-UHFFFAOYSA-N
XLogP1.86
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile?
The IUPAC name of 2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile (CID 124938326) is 2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile.
What is the SMILES notation for 2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile?
The canonical SMILES for 2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile is C=CCN1C=CC=CC1=C(C#N)C#N.
What is the InChIKey of 2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile?
The InChIKey is LTUNALRPLQOEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-6-14-7-4-3-5-11(14)10(8-12)9-13/h2-5,7H,1,6H2.
What are the key properties of 2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile?
2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile has a molecular weight of 183.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enyl-2-pyridinylidene)propanedinitrile is sourced from PubChem (CID 124938326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).