(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine

C9H12FN — CID 145417327

IUPAC(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine
SMILESC=C1CNC/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/b8-4-,9-3+
InChIKeyUWDKFQBKOIAAHH-MBYBCJJBSA-N
MW153.20 g/mol
LogP1.95
Rot. Bonds1

About (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine

(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine (PubChem CID 145417327) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine.

Molecular Properties

Compound Name(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine
PubChem CID145417327
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine
SMILESC=C1CNC/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/b8-4-,9-3+
InChIKeyUWDKFQBKOIAAHH-MBYBCJJBSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine with MolForge

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

Launch Full Analysis

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-methylidenepyrrolidine?
The IUPAC name of (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine (CID 145417327) is (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine.
What is the SMILES notation for (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine?
The canonical SMILES for (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine is C=C1CNC/C1=C/C(F)=C\C.
What is the InChIKey of (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine?
The InChIKey is UWDKFQBKOIAAHH-MBYBCJJBSA-N. 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/b8-4-,9-3+.
What are the key properties of (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine?
(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine has a molecular weight of 153.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine is sourced from PubChem (CID 145417327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).