2-pentylidenepropanedinitrile

C8H10N2 — CID 15486539

IUPAC2-pentylidenepropanedinitrile
SMILESCCCCC=C(C#N)C#N
InChIInChI=1S/C8H10N2/c1-2-3-4-5-8(6-9)7-10/h5H,2-4H2,1H3
InChIKeyRADLRJJXSMRHJX-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.15
Rot. Bonds3

About 2-pentylidenepropanedinitrile

2-pentylidenepropanedinitrile (PubChem CID 15486539) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-pentylidenepropanedinitrile.

Molecular Properties

Compound Name2-pentylidenepropanedinitrile
PubChem CID15486539
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-pentylidenepropanedinitrile
SMILESCCCCC=C(C#N)C#N
InChIInChI=1S/C8H10N2/c1-2-3-4-5-8(6-9)7-10/h5H,2-4H2,1H3
InChIKeyRADLRJJXSMRHJX-UHFFFAOYSA-N
XLogP2.15
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pentylidenepropanedinitrile?
The IUPAC name of 2-pentylidenepropanedinitrile (CID 15486539) is 2-pentylidenepropanedinitrile.
What is the SMILES notation for 2-pentylidenepropanedinitrile?
The canonical SMILES for 2-pentylidenepropanedinitrile is CCCCC=C(C#N)C#N.
What is the InChIKey of 2-pentylidenepropanedinitrile?
The InChIKey is RADLRJJXSMRHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-3-4-5-8(6-9)7-10/h5H,2-4H2,1H3.
What are the key properties of 2-pentylidenepropanedinitrile?
2-pentylidenepropanedinitrile has a molecular weight of 134.18 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylidenepropanedinitrile is sourced from PubChem (CID 15486539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).