1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine

C9H14FN — CID 153363429

IUPAC1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine
SMILESC=C(F)C(=C)CN1CCCC1
InChIInChI=1S/C9H14FN/c1-8(9(2)10)7-11-5-3-4-6-11/h1-7H2
InChIKeyUEYSTOGXUKSWOD-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.12
Rot. Bonds3

About 1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine

1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine (PubChem CID 153363429) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine
PubChem CID153363429
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine
SMILESC=C(F)C(=C)CN1CCCC1
InChIInChI=1S/C9H14FN/c1-8(9(2)10)7-11-5-3-4-6-11/h1-7H2
InChIKeyUEYSTOGXUKSWOD-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.12
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-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine?
The IUPAC name of 1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine (CID 153363429) is 1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine.
What is the SMILES notation for 1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine?
The canonical SMILES for 1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine is C=C(F)C(=C)CN1CCCC1.
What is the InChIKey of 1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine?
The InChIKey is UEYSTOGXUKSWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-8(9(2)10)7-11-5-3-4-6-11/h1-7H2.
What are the key properties of 1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine?
1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine has a molecular weight of 155.22 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylidenebut-3-enyl)pyrrolidine is sourced from PubChem (CID 153363429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).