1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one

C13H17FN2O — CID 105497790

IUPAC1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one
SMILESNCC(CN1CCCC1=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O/c14-12-5-2-1-4-11(12)10(8-15)9-16-7-3-6-13(16)17/h1-2,4-5,10H,3,6-9,15H2
InChIKeyIRVJZVBHWOYTBW-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.49
Rot. Bonds4

About 1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one

1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one (PubChem CID 105497790) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one
PubChem CID105497790
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one
SMILESNCC(CN1CCCC1=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O/c14-12-5-2-1-4-11(12)10(8-15)9-16-7-3-6-13(16)17/h1-2,4-5,10H,3,6-9,15H2
InChIKeyIRVJZVBHWOYTBW-UHFFFAOYSA-N
XLogP1.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one (CID 105497790) is 1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one is NCC(CN1CCCC1=O)c1ccccc1F.
What is the InChIKey of 1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one?
The InChIKey is IRVJZVBHWOYTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-12-5-2-1-4-11(12)10(8-15)9-16-7-3-6-13(16)17/h1-2,4-5,10H,3,6-9,15H2.
What are the key properties of 1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one?
1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one has a molecular weight of 236.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 105497790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).