3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile

C8H11FN2 — CID 131084163

IUPAC3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile
SMILESC=CCN1CCC(F)(C#N)C1
InChIInChI=1S/C8H11FN2/c1-2-4-11-5-3-8(9,6-10)7-11/h2H,1,3-5,7H2
InChIKeyIHULNHJCHJXHPI-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.11
Rot. Bonds2

About 3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile

3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile (PubChem CID 131084163) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile
PubChem CID131084163
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile
SMILESC=CCN1CCC(F)(C#N)C1
InChIInChI=1S/C8H11FN2/c1-2-4-11-5-3-8(9,6-10)7-11/h2H,1,3-5,7H2
InChIKeyIHULNHJCHJXHPI-UHFFFAOYSA-N
XLogP1.11
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-1-(2-methylidenebutyl)pyrrolidine-3-carbonitrile
CID 126999470
3-Fluoro-3-methyl-1-prop-2-enylpyrrolidine
CID 127002185
1-But-3-en-2-yl-3-fluoropyrrolidine-3-carbonitrile
CID 130683821
1-(2-Bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile
CID 130979395
1-[(E)-but-2-enyl]-3-fluoropyrrolidine-3-carbonitrile
CID 131236968
1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile
CID 131239261
1-Prop-2-enylpyrrolidine-3-carbonitrile
CID 83694263

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile?
The IUPAC name of 3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile (CID 131084163) is 3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile?
The canonical SMILES for 3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile is C=CCN1CCC(F)(C#N)C1.
What is the InChIKey of 3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile?
The InChIKey is IHULNHJCHJXHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-2-4-11-5-3-8(9,6-10)7-11/h2H,1,3-5,7H2.
What are the key properties of 3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile?
3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile has a molecular weight of 154.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-prop-2-enylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 131084163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).