1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one

C14H19FN2O — CID 117023360

IUPAC1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one
SMILESCNCC1CC(=O)N(c2cccc(F)c2)C1(C)C
InChIInChI=1S/C14H19FN2O/c1-14(2)10(9-16-3)7-13(18)17(14)12-6-4-5-11(15)8-12/h4-6,8,10,16H,7,9H2,1-3H3
InChIKeyDBFVHOKOKIQFQD-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.18
Rot. Bonds3

About 1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one

1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one (PubChem CID 117023360) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one
PubChem CID117023360
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one
SMILESCNCC1CC(=O)N(c2cccc(F)c2)C1(C)C
InChIInChI=1S/C14H19FN2O/c1-14(2)10(9-16-3)7-13(18)17(14)12-6-4-5-11(15)8-12/h4-6,8,10,16H,7,9H2,1-3H3
InChIKeyDBFVHOKOKIQFQD-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one (CID 117023360) is 1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one is CNCC1CC(=O)N(c2cccc(F)c2)C1(C)C.
What is the InChIKey of 1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one?
The InChIKey is DBFVHOKOKIQFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(2)10(9-16-3)7-13(18)17(14)12-6-4-5-11(15)8-12/h4-6,8,10,16H,7,9H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one?
1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one has a molecular weight of 250.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 117023360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).