2-pentan-2-ylidenepropanedinitrile

C8H10N2 — CID 3519593

IUPAC2-pentan-2-ylidenepropanedinitrile
SMILESCCCC(C)=C(C#N)C#N
InChIInChI=1S/C8H10N2/c1-3-4-7(2)8(5-9)6-10/h3-4H2,1-2H3
InChIKeyPKPZFHVMTGZHRY-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.15
Rot. Bonds2

About 2-pentan-2-ylidenepropanedinitrile

2-pentan-2-ylidenepropanedinitrile (PubChem CID 3519593) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-pentan-2-ylidenepropanedinitrile.

Molecular Properties

Compound Name2-pentan-2-ylidenepropanedinitrile
PubChem CID3519593
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-pentan-2-ylidenepropanedinitrile
SMILESCCCC(C)=C(C#N)C#N
InChIInChI=1S/C8H10N2/c1-3-4-7(2)8(5-9)6-10/h3-4H2,1-2H3
InChIKeyPKPZFHVMTGZHRY-UHFFFAOYSA-N
XLogP2.15
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.15
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-pentan-2-ylidenepropanedinitrile?
The IUPAC name of 2-pentan-2-ylidenepropanedinitrile (CID 3519593) is 2-pentan-2-ylidenepropanedinitrile.
What is the SMILES notation for 2-pentan-2-ylidenepropanedinitrile?
The canonical SMILES for 2-pentan-2-ylidenepropanedinitrile is CCCC(C)=C(C#N)C#N.
What is the InChIKey of 2-pentan-2-ylidenepropanedinitrile?
The InChIKey is PKPZFHVMTGZHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-4-7(2)8(5-9)6-10/h3-4H2,1-2H3.
What are the key properties of 2-pentan-2-ylidenepropanedinitrile?
2-pentan-2-ylidenepropanedinitrile has a molecular weight of 134.18 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-ylidenepropanedinitrile is sourced from PubChem (CID 3519593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).