(2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine

C12H18FN — CID 134386180

IUPAC(2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine
SMILESC=C/C(=C\C(F)=C/C)[C@H]1CCCN1C
InChIInChI=1S/C12H18FN/c1-4-10(9-11(13)5-2)12-7-6-8-14(12)3/h4-5,9,12H,1,6-8H2,2-3H3/b10-9+,11-5+/t12-/m1/s1
InChIKeyIZUHNJOAITVZTQ-BNQVIZRSSA-N
MW195.28 g/mol
LogP3.07
Rot. Bonds3

About (2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine

(2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine (PubChem CID 134386180) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine
PubChem CID134386180
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine
SMILESC=C/C(=C\C(F)=C/C)[C@H]1CCCN1C
InChIInChI=1S/C12H18FN/c1-4-10(9-11(13)5-2)12-7-6-8-14(12)3/h4-5,9,12H,1,6-8H2,2-3H3/b10-9+,11-5+/t12-/m1/s1
InChIKeyIZUHNJOAITVZTQ-BNQVIZRSSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine (CID 134386180) is (2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine is C=C/C(=C\C(F)=C/C)[C@H]1CCCN1C.
What is the InChIKey of (2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine?
The InChIKey is IZUHNJOAITVZTQ-BNQVIZRSSA-N. The full InChI is InChI=1S/C12H18FN/c1-4-10(9-11(13)5-2)12-7-6-8-14(12)3/h4-5,9,12H,1,6-8H2,2-3H3/b10-9+,11-5+/t12-/m1/s1.
What are the key properties of (2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine?
(2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine has a molecular weight of 195.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine is sourced from PubChem (CID 134386180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).