2-(1-cyclopropylethylidene)propanedinitrile

C8H8N2 — CID 568972

IUPAC2-(1-cyclopropylethylidene)propanedinitrile
SMILESCC(=C(C#N)C#N)C1CC1
InChIInChI=1S/C8H8N2/c1-6(7-2-3-7)8(4-9)5-10/h7H,2-3H2,1H3
InChIKeyNBGFGYXYMAHCID-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.76
Rot. Bonds1

About 2-(1-cyclopropylethylidene)propanedinitrile

2-(1-cyclopropylethylidene)propanedinitrile (PubChem CID 568972) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 2-(1-cyclopropylethylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1-cyclopropylethylidene)propanedinitrile
PubChem CID568972
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name2-(1-cyclopropylethylidene)propanedinitrile
SMILESCC(=C(C#N)C#N)C1CC1
InChIInChI=1S/C8H8N2/c1-6(7-2-3-7)8(4-9)5-10/h7H,2-3H2,1H3
InChIKeyNBGFGYXYMAHCID-UHFFFAOYSA-N
XLogP1.76
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.76
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 2-(1-cyclopropylethylidene)propanedinitrile?
The IUPAC name of 2-(1-cyclopropylethylidene)propanedinitrile (CID 568972) is 2-(1-cyclopropylethylidene)propanedinitrile.
What is the SMILES notation for 2-(1-cyclopropylethylidene)propanedinitrile?
The canonical SMILES for 2-(1-cyclopropylethylidene)propanedinitrile is CC(=C(C#N)C#N)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethylidene)propanedinitrile?
The InChIKey is NBGFGYXYMAHCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6(7-2-3-7)8(4-9)5-10/h7H,2-3H2,1H3.
What are the key properties of 2-(1-cyclopropylethylidene)propanedinitrile?
2-(1-cyclopropylethylidene)propanedinitrile has a molecular weight of 132.17 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylidene)propanedinitrile is sourced from PubChem (CID 568972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).