1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane

C12H22N+ — CID 155692676

IUPAC1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane
SMILESC=C/C(C1CCC1)=[N+](/C)C=C.CC
InChIInChI=1S/C10H16N.C2H6/c1-4-10(11(3)5-2)9-7-6-8-9;1-2/h4-5,9H,1-2,6-8H2,3H3;1-2H3/q+1;/b11-10+;
InChIKeyJUQKDQYCORRHPQ-ASTDGNLGSA-N
MW180.31 g/mol
LogP3.23
Rot. Bonds3

About 1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane

1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane (PubChem CID 155692676) has the molecular formula C12H22N+ and a molecular weight of 180.31 g/mol. Its IUPAC name is 1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane.

Molecular Properties

Compound Name1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane
PubChem CID155692676
Molecular FormulaC12H22N+
Molecular Weight180.31 g/mol
Exact Mass180.17
IUPAC Name1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane
SMILESC=C/C(C1CCC1)=[N+](/C)C=C.CC
InChIInChI=1S/C10H16N.C2H6/c1-4-10(11(3)5-2)9-7-6-8-9;1-2/h4-5,9H,1-2,6-8H2,3H3;1-2H3/q+1;/b11-10+;
InChIKeyJUQKDQYCORRHPQ-ASTDGNLGSA-N
XLogP3.23
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane?
The IUPAC name of 1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane (CID 155692676) is 1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane.
What is the SMILES notation for 1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane?
The canonical SMILES for 1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane is C=C/C(C1CCC1)=[N+](/C)C=C.CC.
What is the InChIKey of 1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane?
The InChIKey is JUQKDQYCORRHPQ-ASTDGNLGSA-N. The full InChI is InChI=1S/C10H16N.C2H6/c1-4-10(11(3)5-2)9-7-6-8-9;1-2/h4-5,9H,1-2,6-8H2,3H3;1-2H3/q+1;/b11-10+;.
What are the key properties of 1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane?
1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane has a molecular weight of 180.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylprop-2-enylidene-ethenyl-methylazanium;ethane is sourced from PubChem (CID 155692676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).