N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine

C8H13FN2 — CID 166807753

IUPACN-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine
SMILESC=C/N=C(\C)N1CC[C@@H](F)C1
InChIInChI=1S/C8H13FN2/c1-3-10-7(2)11-5-4-8(9)6-11/h3,8H,1,4-6H2,2H3/b10-7+/t8-/m1/s1
InChIKeyANGGHYKURUIKCG-RYGSOJJJSA-N
MW156.20 g/mol
LogP1.59
Rot. Bonds1

About N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine

N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine (PubChem CID 166807753) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine.

Molecular Properties

Compound NameN-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine
PubChem CID166807753
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC NameN-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine
SMILESC=C/N=C(\C)N1CC[C@@H](F)C1
InChIInChI=1S/C8H13FN2/c1-3-10-7(2)11-5-4-8(9)6-11/h3,8H,1,4-6H2,2H3/b10-7+/t8-/m1/s1
InChIKeyANGGHYKURUIKCG-RYGSOJJJSA-N
XLogP1.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine?
The IUPAC name of N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine (CID 166807753) is N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine.
What is the SMILES notation for N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine?
The canonical SMILES for N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine is C=C/N=C(\C)N1CC[C@@H](F)C1.
What is the InChIKey of N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine?
The InChIKey is ANGGHYKURUIKCG-RYGSOJJJSA-N. The full InChI is InChI=1S/C8H13FN2/c1-3-10-7(2)11-5-4-8(9)6-11/h3,8H,1,4-6H2,2H3/b10-7+/t8-/m1/s1.
What are the key properties of N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine?
N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine has a molecular weight of 156.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine is sourced from PubChem (CID 166807753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).