2-(ethenyliminomethyl)pent-4-enenitrile

C8H10N2 — CID 166989054

IUPAC2-(ethenyliminomethyl)pent-4-enenitrile
SMILESC=CCC(C#N)/C=N/C=C
InChIInChI=1S/C8H10N2/c1-3-5-8(6-9)7-10-4-2/h3-4,7-8H,1-2,5H2/b10-7+
InChIKeyULGPKAHUFXZGES-JXMROGBWSA-N
MW134.18 g/mol
LogP1.92
Rot. Bonds4

About 2-(ethenyliminomethyl)pent-4-enenitrile

2-(ethenyliminomethyl)pent-4-enenitrile (PubChem CID 166989054) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-(ethenyliminomethyl)pent-4-enenitrile.

Molecular Properties

Compound Name2-(ethenyliminomethyl)pent-4-enenitrile
PubChem CID166989054
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-(ethenyliminomethyl)pent-4-enenitrile
SMILESC=CCC(C#N)/C=N/C=C
InChIInChI=1S/C8H10N2/c1-3-5-8(6-9)7-10-4-2/h3-4,7-8H,1-2,5H2/b10-7+
InChIKeyULGPKAHUFXZGES-JXMROGBWSA-N
XLogP1.92
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethenyliminomethyl)pent-4-enenitrile?
The IUPAC name of 2-(ethenyliminomethyl)pent-4-enenitrile (CID 166989054) is 2-(ethenyliminomethyl)pent-4-enenitrile.
What is the SMILES notation for 2-(ethenyliminomethyl)pent-4-enenitrile?
The canonical SMILES for 2-(ethenyliminomethyl)pent-4-enenitrile is C=CCC(C#N)/C=N/C=C.
What is the InChIKey of 2-(ethenyliminomethyl)pent-4-enenitrile?
The InChIKey is ULGPKAHUFXZGES-JXMROGBWSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-5-8(6-9)7-10-4-2/h3-4,7-8H,1-2,5H2/b10-7+.
What are the key properties of 2-(ethenyliminomethyl)pent-4-enenitrile?
2-(ethenyliminomethyl)pent-4-enenitrile has a molecular weight of 134.18 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenyliminomethyl)pent-4-enenitrile is sourced from PubChem (CID 166989054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).