2-(2,2-dimethylpropylidene)propanedinitrile

C8H10N2 — CID 564299

IUPAC2-(2,2-dimethylpropylidene)propanedinitrile
SMILESCC(C)(C)C=C(C#N)C#N
InChIInChI=1S/C8H10N2/c1-8(2,3)4-7(5-9)6-10/h4H,1-3H3
InChIKeyPLIHKJFNCMBRFM-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.01
Rot. Bonds

About 2-(2,2-dimethylpropylidene)propanedinitrile

2-(2,2-dimethylpropylidene)propanedinitrile (PubChem CID 564299) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylidene)propanedinitrile.

Molecular Properties

Compound Name2-(2,2-dimethylpropylidene)propanedinitrile
PubChem CID564299
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-(2,2-dimethylpropylidene)propanedinitrile
SMILESCC(C)(C)C=C(C#N)C#N
InChIInChI=1S/C8H10N2/c1-8(2,3)4-7(5-9)6-10/h4H,1-3H3
InChIKeyPLIHKJFNCMBRFM-UHFFFAOYSA-N
XLogP2.01
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.01
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-(2,2-dimethylpropylidene)propanedinitrile?
The IUPAC name of 2-(2,2-dimethylpropylidene)propanedinitrile (CID 564299) is 2-(2,2-dimethylpropylidene)propanedinitrile.
What is the SMILES notation for 2-(2,2-dimethylpropylidene)propanedinitrile?
The canonical SMILES for 2-(2,2-dimethylpropylidene)propanedinitrile is CC(C)(C)C=C(C#N)C#N.
What is the InChIKey of 2-(2,2-dimethylpropylidene)propanedinitrile?
The InChIKey is PLIHKJFNCMBRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-8(2,3)4-7(5-9)6-10/h4H,1-3H3.
What are the key properties of 2-(2,2-dimethylpropylidene)propanedinitrile?
2-(2,2-dimethylpropylidene)propanedinitrile has a molecular weight of 134.18 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylidene)propanedinitrile is sourced from PubChem (CID 564299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).