1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine

C13H18FN — CID 123874356

IUPAC1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
SMILESC=CC(=C)N1CCCC1C(C)=CC(=C)F
InChIInChI=1S/C13H18FN/c1-5-12(4)15-8-6-7-13(15)10(2)9-11(3)14/h5,9,13H,1,3-4,6-8H2,2H3
InChIKeyNNFOIAMOQBRZMR-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.58
Rot. Bonds4

About 1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine

1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine (PubChem CID 123874356) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
PubChem CID123874356
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
SMILESC=CC(=C)N1CCCC1C(C)=CC(=C)F
InChIInChI=1S/C13H18FN/c1-5-12(4)15-8-6-7-13(15)10(2)9-11(3)14/h5,9,13H,1,3-4,6-8H2,2H3
InChIKeyNNFOIAMOQBRZMR-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.58
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-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine?
The IUPAC name of 1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine (CID 123874356) is 1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine?
The canonical SMILES for 1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine is C=CC(=C)N1CCCC1C(C)=CC(=C)F.
What is the InChIKey of 1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine?
The InChIKey is NNFOIAMOQBRZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-5-12(4)15-8-6-7-13(15)10(2)9-11(3)14/h5,9,13H,1,3-4,6-8H2,2H3.
What are the key properties of 1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine?
1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine is sourced from PubChem (CID 123874356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).