1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one

C17H23FN2O — CID 45187558

IUPAC1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one
SMILESC=CCNCCC1CCC(=O)N1CCc1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-2-11-19-12-9-16-7-8-17(21)20(16)13-10-14-3-5-15(18)6-4-14/h2-6,16,19H,1,7-13H2
InChIKeyCHUAWRIXPJEYGE-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.52
Rot. Bonds8

About 1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one

1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one (PubChem CID 45187558) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one
PubChem CID45187558
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one
SMILESC=CCNCCC1CCC(=O)N1CCc1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-2-11-19-12-9-16-7-8-17(21)20(16)13-10-14-3-5-15(18)6-4-14/h2-6,16,19H,1,7-13H2
InChIKeyCHUAWRIXPJEYGE-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one (CID 45187558) is 1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one is C=CCNCCC1CCC(=O)N1CCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one?
The InChIKey is CHUAWRIXPJEYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-2-11-19-12-9-16-7-8-17(21)20(16)13-10-14-3-5-15(18)6-4-14/h2-6,16,19H,1,7-13H2.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one?
1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one has a molecular weight of 290.38 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45187558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).