(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium

C9H13FN+ — CID 145417326

IUPAC(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium
SMILESC=C1C[NH2+]C/C1=C/C(F)=C\C
InChIInChI=1S/C9H12FN/c1-3-9(10)4-8-6-11-5-7(8)2/h3-4,11H,2,5-6H2,1H3/p+1/b8-4-,9-3+
InChIKeyUWDKFQBKOIAAHH-MBYBCJJBSA-O
MW154.21 g/mol
LogP0.92
Rot. Bonds1

About (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium

(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium (PubChem CID 145417326) has the molecular formula C9H13FN+ and a molecular weight of 154.21 g/mol. Its IUPAC name is (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium.

Molecular Properties

Compound Name(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium
PubChem CID145417326
Molecular FormulaC9H13FN+
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium
SMILESC=C1C[NH2+]C/C1=C/C(F)=C\C
InChIInChI=1S/C9H12FN/c1-3-9(10)4-8-6-11-5-7(8)2/h3-4,11H,2,5-6H2,1H3/p+1/b8-4-,9-3+
InChIKeyUWDKFQBKOIAAHH-MBYBCJJBSA-O
XLogP0.92
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-Propylidenepyrrolidine
CID 79875565
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)pyrrolidine
CID 88957760
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 89228068
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
(3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine
CID 121388651
4-fluoro-N-methyl-2-methylidenepent-3-en-1-amine
CID 123939942
1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]pyrrolidine
CID 134549535
(2E)-N-(2-fluoroethyl)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 141974143
(E)-2-ethyl-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]but-2-en-1-amine
CID 143135338
1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine
CID 143321404

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium?
The IUPAC name of (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium (CID 145417326) is (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium.
What is the SMILES notation for (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium?
The canonical SMILES for (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium is C=C1C[NH2+]C/C1=C/C(F)=C\C.
What is the InChIKey of (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium?
The InChIKey is UWDKFQBKOIAAHH-MBYBCJJBSA-O. The full InChI is InChI=1S/C9H12FN/c1-3-9(10)4-8-6-11-5-7(8)2/h3-4,11H,2,5-6H2,1H3/p+1/b8-4-,9-3+.
What are the key properties of (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium?
(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium has a molecular weight of 154.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium is sourced from PubChem (CID 145417326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).