1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine

C11H18FN — CID 123887890

IUPAC1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
SMILESC=C(F)C=C(C)C1CCCN1CC
InChIInChI=1S/C11H18FN/c1-4-13-7-5-6-11(13)9(2)8-10(3)12/h8,11H,3-7H2,1-2H3
InChIKeyJCHGYVQSPSDSQG-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.90
Rot. Bonds3

About 1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine

1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine (PubChem CID 123887890) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
PubChem CID123887890
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
SMILESC=C(F)C=C(C)C1CCCN1CC
InChIInChI=1S/C11H18FN/c1-4-13-7-5-6-11(13)9(2)8-10(3)12/h8,11H,3-7H2,1-2H3
InChIKeyJCHGYVQSPSDSQG-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine?
The IUPAC name of 1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine (CID 123887890) is 1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine.
What is the SMILES notation for 1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine?
The canonical SMILES for 1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine is C=C(F)C=C(C)C1CCCN1CC.
What is the InChIKey of 1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine?
The InChIKey is JCHGYVQSPSDSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-4-13-7-5-6-11(13)9(2)8-10(3)12/h8,11H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine?
1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine has a molecular weight of 183.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine is sourced from PubChem (CID 123887890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).