2-ethenyl-2-phenoxypropanedinitrile

C11H8N2O — CID 91584701

IUPAC2-ethenyl-2-phenoxypropanedinitrile
SMILESC=CC(C#N)(C#N)Oc1ccccc1
InChIInChI=1S/C11H8N2O/c1-2-11(8-12,9-13)14-10-6-4-3-5-7-10/h2-7H,1H2
InChIKeyFXVHSYMZTOIAFT-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.04
Rot. Bonds3

About 2-ethenyl-2-phenoxypropanedinitrile

2-ethenyl-2-phenoxypropanedinitrile (PubChem CID 91584701) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-ethenyl-2-phenoxypropanedinitrile.

Molecular Properties

Compound Name2-ethenyl-2-phenoxypropanedinitrile
PubChem CID91584701
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2-ethenyl-2-phenoxypropanedinitrile
SMILESC=CC(C#N)(C#N)Oc1ccccc1
InChIInChI=1S/C11H8N2O/c1-2-11(8-12,9-13)14-10-6-4-3-5-7-10/h2-7H,1H2
InChIKeyFXVHSYMZTOIAFT-UHFFFAOYSA-N
XLogP2.04
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-ethenyl-2-phenoxypropanedinitrile?
The IUPAC name of 2-ethenyl-2-phenoxypropanedinitrile (CID 91584701) is 2-ethenyl-2-phenoxypropanedinitrile.
What is the SMILES notation for 2-ethenyl-2-phenoxypropanedinitrile?
The canonical SMILES for 2-ethenyl-2-phenoxypropanedinitrile is C=CC(C#N)(C#N)Oc1ccccc1.
What is the InChIKey of 2-ethenyl-2-phenoxypropanedinitrile?
The InChIKey is FXVHSYMZTOIAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-2-11(8-12,9-13)14-10-6-4-3-5-7-10/h2-7H,1H2.
What are the key properties of 2-ethenyl-2-phenoxypropanedinitrile?
2-ethenyl-2-phenoxypropanedinitrile has a molecular weight of 184.20 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-phenoxypropanedinitrile is sourced from PubChem (CID 91584701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).