1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

C14H15FN2O2 — CID 110465285

IUPAC1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C14H15FN2O2/c1-2-6-16-14(19)10-7-13(18)17(9-10)12-5-3-4-11(15)8-12/h2-5,8,10H,1,6-7,9H2,(H,16,19)
InChIKeyBTORTGMLCRUXDE-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.48
Rot. Bonds4

About 1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 110465285) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID110465285
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C14H15FN2O2/c1-2-6-16-14(19)10-7-13(18)17(9-10)12-5-3-4-11(15)8-12/h2-5,8,10H,1,6-7,9H2,(H,16,19)
InChIKeyBTORTGMLCRUXDE-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(3-fluorophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93017520
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46705199
ethyl (3S)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075742
(3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 7282872
1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 113189916
1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 122263020
1-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 91779798
N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190173
1-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46584016
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-3-carboxamide
CID 97259746
1-(3-bromophenyl)-N-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxamide
CID 119037342

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (CID 110465285) is 1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCNC(=O)C1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is BTORTGMLCRUXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-2-6-16-14(19)10-7-13(18)17(9-10)12-5-3-4-11(15)8-12/h2-5,8,10H,1,6-7,9H2,(H,16,19).
What are the key properties of 1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110465285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).