[(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine

C13H20FN — CID 134400273

IUPAC[(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine
SMILES[H]/N=C/[C@@H]1CC(/C=C(\C)F)C(CC=C)C1C
InChIInChI=1S/C13H20FN/c1-4-5-13-10(3)12(8-15)7-11(13)6-9(2)14/h4,6,8,10-13,15H,1,5,7H2,2-3H3/b9-6+,15-8+/t10?,11?,12-,13?/m0/s1
InChIKeyBOBGXTXCZKDLJN-DFKJNZBXSA-N
MW209.31 g/mol
LogP3.97
Rot. Bonds4

About [(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine

[(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine (PubChem CID 134400273) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is [(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine.

Molecular Properties

Compound Name[(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine
PubChem CID134400273
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name[(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine
SMILES[H]/N=C/[C@@H]1CC(/C=C(\C)F)C(CC=C)C1C
InChIInChI=1S/C13H20FN/c1-4-5-13-10(3)12(8-15)7-11(13)6-9(2)14/h4,6,8,10-13,15H,1,5,7H2,2-3H3/b9-6+,15-8+/t10?,11?,12-,13?/m0/s1
InChIKeyBOBGXTXCZKDLJN-DFKJNZBXSA-N
XLogP3.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine 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 [(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine?
The IUPAC name of [(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine (CID 134400273) is [(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine.
What is the SMILES notation for [(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine?
The canonical SMILES for [(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine is [H]/N=C/[C@@H]1CC(/C=C(\C)F)C(CC=C)C1C.
What is the InChIKey of [(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine?
The InChIKey is BOBGXTXCZKDLJN-DFKJNZBXSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-5-13-10(3)12(8-15)7-11(13)6-9(2)14/h4,6,8,10-13,15H,1,5,7H2,2-3H3/b9-6+,15-8+/t10?,11?,12-,13?/m0/s1.
What are the key properties of [(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine?
[(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine has a molecular weight of 209.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-[(E)-2-fluoroprop-1-enyl]-2-methyl-3-prop-2-enylcyclopentyl]methanimine is sourced from PubChem (CID 134400273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).