pent-2-ene-1,1,5-tricarbonitrile

C8H7N3 — CID 123327097

IUPACpent-2-ene-1,1,5-tricarbonitrile
SMILESN#CCCC=CC(C#N)C#N
InChIInChI=1S/C8H7N3/c9-5-3-1-2-4-8(6-10)7-11/h2,4,8H,1,3H2
InChIKeyABAATJCUFVYUOH-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.51
Rot. Bonds3

About pent-2-ene-1,1,5-tricarbonitrile

pent-2-ene-1,1,5-tricarbonitrile (PubChem CID 123327097) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is pent-2-ene-1,1,5-tricarbonitrile.

Molecular Properties

Compound Namepent-2-ene-1,1,5-tricarbonitrile
PubChem CID123327097
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Namepent-2-ene-1,1,5-tricarbonitrile
SMILESN#CCCC=CC(C#N)C#N
InChIInChI=1S/C8H7N3/c9-5-3-1-2-4-8(6-10)7-11/h2,4,8H,1,3H2
InChIKeyABAATJCUFVYUOH-UHFFFAOYSA-N
XLogP1.51
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze pent-2-ene-1,1,5-tricarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pent-2-ene-1,1,5-tricarbonitrile?
The IUPAC name of pent-2-ene-1,1,5-tricarbonitrile (CID 123327097) is pent-2-ene-1,1,5-tricarbonitrile.
What is the SMILES notation for pent-2-ene-1,1,5-tricarbonitrile?
The canonical SMILES for pent-2-ene-1,1,5-tricarbonitrile is N#CCCC=CC(C#N)C#N.
What is the InChIKey of pent-2-ene-1,1,5-tricarbonitrile?
The InChIKey is ABAATJCUFVYUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c9-5-3-1-2-4-8(6-10)7-11/h2,4,8H,1,3H2.
What are the key properties of pent-2-ene-1,1,5-tricarbonitrile?
pent-2-ene-1,1,5-tricarbonitrile has a molecular weight of 145.16 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-ene-1,1,5-tricarbonitrile is sourced from PubChem (CID 123327097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).