2-(ethenyliminomethyl)-3-methylbut-2-enenitrile

C8H10N2 — CID 146766653

IUPAC2-(ethenyliminomethyl)-3-methylbut-2-enenitrile
SMILESC=C/N=C/C(C#N)=C(C)C
InChIInChI=1S/C8H10N2/c1-4-10-6-8(5-9)7(2)3/h4,6H,1H2,2-3H3/b10-6+
InChIKeyRQTFMBRKEXYJQA-UXBLZVDNSA-N
MW134.18 g/mol
LogP2.06
Rot. Bonds2

About 2-(ethenyliminomethyl)-3-methylbut-2-enenitrile

2-(ethenyliminomethyl)-3-methylbut-2-enenitrile (PubChem CID 146766653) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-(ethenyliminomethyl)-3-methylbut-2-enenitrile.

Molecular Properties

Compound Name2-(ethenyliminomethyl)-3-methylbut-2-enenitrile
PubChem CID146766653
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-(ethenyliminomethyl)-3-methylbut-2-enenitrile
SMILESC=C/N=C/C(C#N)=C(C)C
InChIInChI=1S/C8H10N2/c1-4-10-6-8(5-9)7(2)3/h4,6H,1H2,2-3H3/b10-6+
InChIKeyRQTFMBRKEXYJQA-UXBLZVDNSA-N
XLogP2.06
TPSA36.15 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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethenyliminomethyl)-3-methylbut-2-enenitrile?
The IUPAC name of 2-(ethenyliminomethyl)-3-methylbut-2-enenitrile (CID 146766653) is 2-(ethenyliminomethyl)-3-methylbut-2-enenitrile.
What is the SMILES notation for 2-(ethenyliminomethyl)-3-methylbut-2-enenitrile?
The canonical SMILES for 2-(ethenyliminomethyl)-3-methylbut-2-enenitrile is C=C/N=C/C(C#N)=C(C)C.
What is the InChIKey of 2-(ethenyliminomethyl)-3-methylbut-2-enenitrile?
The InChIKey is RQTFMBRKEXYJQA-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H10N2/c1-4-10-6-8(5-9)7(2)3/h4,6H,1H2,2-3H3/b10-6+.
What are the key properties of 2-(ethenyliminomethyl)-3-methylbut-2-enenitrile?
2-(ethenyliminomethyl)-3-methylbut-2-enenitrile has a molecular weight of 134.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenyliminomethyl)-3-methylbut-2-enenitrile is sourced from PubChem (CID 146766653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).