1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one

C14H19FN2O — CID 104510823

IUPAC1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2cc(F)ccc2N)C1
InChIInChI=1S/C14H19FN2O/c1-2-3-10-6-14(18)17(8-10)9-11-7-12(15)4-5-13(11)16/h4-5,7,10H,2-3,6,8-9,16H2,1H3
InChIKeyMYSHHGXNYIWHGJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.56
Rot. Bonds4

About 1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one

1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one (PubChem CID 104510823) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one
PubChem CID104510823
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2cc(F)ccc2N)C1
InChIInChI=1S/C14H19FN2O/c1-2-3-10-6-14(18)17(8-10)9-11-7-12(15)4-5-13(11)16/h4-5,7,10H,2-3,6,8-9,16H2,1H3
InChIKeyMYSHHGXNYIWHGJ-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-4-propylpyrrolidin-2-one
CID 104512489
3-fluoro-4-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzonitrile
CID 104511806
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one
CID 107523045
1-[[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-propylpyrrolidin-2-one
CID 104512526
1-[(2-amino-6-bromophenyl)methyl]-4-propylpyrrolidin-2-one
CID 104510848
1-[(2-amino-5-fluorophenyl)methyl]-4-methylpiperidine-2,6-dione
CID 79499662
1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one
CID 104510978
4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159314
[1-[(5-fluoro-2-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675930
1-[(2-bromo-5-methoxyphenyl)methyl]-4-propylpyrrolidin-2-one
CID 104512444
2-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 104511863
4-methoxy-3-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 104511862

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one (CID 104510823) is 1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2cc(F)ccc2N)C1.
What is the InChIKey of 1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one?
The InChIKey is MYSHHGXNYIWHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-3-10-6-14(18)17(8-10)9-11-7-12(15)4-5-13(11)16/h4-5,7,10H,2-3,6,8-9,16H2,1H3.
What are the key properties of 1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one?
1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one has a molecular weight of 250.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 104510823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).