1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

C15H17FN2O2 — CID 46705215

IUPAC1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H17FN2O2/c1-2-7-17-15(20)12-8-14(19)18(10-12)9-11-3-5-13(16)6-4-11/h2-6,12H,1,7-10H2,(H,17,20)
InChIKeyIUVCZACHKZCTFJ-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.48
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 46705215) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID46705215
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H17FN2O2/c1-2-7-17-15(20)12-8-14(19)18(10-12)9-11-3-5-13(16)6-4-11/h2-6,12H,1,7-10H2,(H,17,20)
InChIKeyIUVCZACHKZCTFJ-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
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

Nebracetam
CID 65926
1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
BN-201
CID 66610682
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
N-(4-fluorobenzyl)pentanamide
CID 1741622
1-Pyrrolidineacetamide, N-(phenylmethyl)-
CID 2214094
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 3663590
1-cyclopentyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 5090685
1-[2-(4-Fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6462581

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (CID 46705215) is 1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCNC(=O)C1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is IUVCZACHKZCTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-2-7-17-15(20)12-8-14(19)18(10-12)9-11-3-5-13(16)6-4-11/h2-6,12H,1,7-10H2,(H,17,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46705215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).