(2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine

C14H12FN — CID 155676077

IUPAC(2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine
SMILESFc1ccc(/C=C2\Cc3cccn3C2)cc1
InChIInChI=1S/C14H12FN/c15-13-5-3-11(4-6-13)8-12-9-14-2-1-7-16(14)10-12/h1-8H,9-10H2/b12-8+
InChIKeyMTFIJZBTKXQSCL-XYOKQWHBSA-N
MW213.25 g/mol
LogP3.27
Rot. Bonds1

About (2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine

(2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine (PubChem CID 155676077) has the molecular formula C14H12FN and a molecular weight of 213.25 g/mol. Its IUPAC name is (2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine.

Molecular Properties

Compound Name(2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine
PubChem CID155676077
Molecular FormulaC14H12FN
Molecular Weight213.25 g/mol
Exact Mass213.10
IUPAC Name(2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine
SMILESFc1ccc(/C=C2\Cc3cccn3C2)cc1
InChIInChI=1S/C14H12FN/c15-13-5-3-11(4-6-13)8-12-9-14-2-1-7-16(14)10-12/h1-8H,9-10H2/b12-8+
InChIKeyMTFIJZBTKXQSCL-XYOKQWHBSA-N
XLogP3.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine?
The IUPAC name of (2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine (CID 155676077) is (2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine.
What is the SMILES notation for (2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine?
The canonical SMILES for (2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine is Fc1ccc(/C=C2\Cc3cccn3C2)cc1.
What is the InChIKey of (2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine?
The InChIKey is MTFIJZBTKXQSCL-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H12FN/c15-13-5-3-11(4-6-13)8-12-9-14-2-1-7-16(14)10-12/h1-8H,9-10H2/b12-8+.
What are the key properties of (2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine?
(2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine has a molecular weight of 213.25 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-fluorophenyl)methylidene]-1,3-dihydropyrrolizine is sourced from PubChem (CID 155676077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).