4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one

C13H16F2N2O — CID 106534351

IUPAC4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one
SMILESCCCN1C(=O)CC(N)C1c1cc(F)cc(F)c1
InChIInChI=1S/C13H16F2N2O/c1-2-3-17-12(18)7-11(16)13(17)8-4-9(14)6-10(15)5-8/h4-6,11,13H,2-3,7,16H2,1H3
InChIKeyGVJCRAUTMUVNNS-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.98
Rot. Bonds3

About 4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one

4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one (PubChem CID 106534351) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one
PubChem CID106534351
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one
SMILESCCCN1C(=O)CC(N)C1c1cc(F)cc(F)c1
InChIInChI=1S/C13H16F2N2O/c1-2-3-17-12(18)7-11(16)13(17)8-4-9(14)6-10(15)5-8/h4-6,11,13H,2-3,7,16H2,1H3
InChIKeyGVJCRAUTMUVNNS-UHFFFAOYSA-N
XLogP1.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Ksp-IA
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one?
The IUPAC name of 4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one (CID 106534351) is 4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one is CCCN1C(=O)CC(N)C1c1cc(F)cc(F)c1.
What is the InChIKey of 4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one?
The InChIKey is GVJCRAUTMUVNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-2-3-17-12(18)7-11(16)13(17)8-4-9(14)6-10(15)5-8/h4-6,11,13H,2-3,7,16H2,1H3.
What are the key properties of 4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one?
4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one has a molecular weight of 254.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one is sourced from PubChem (CID 106534351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).