(4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one

C17H17FN2O — CID 168511389

IUPAC(4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one
SMILESCc1cnccc1CN1C[C@H](c2cccc(F)c2)CC1=O
InChIInChI=1S/C17H17FN2O/c1-12-9-19-6-5-14(12)10-20-11-15(8-17(20)21)13-3-2-4-16(18)7-13/h2-7,9,15H,8,10-11H2,1H3/t15-/m1/s1
InChIKeyOEHDSDXNSVNPIU-OAHLLOKOSA-N
MW284.33 g/mol
LogP3.05
Rot. Bonds3

About (4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one

(4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one (PubChem CID 168511389) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one
PubChem CID168511389
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one
SMILESCc1cnccc1CN1C[C@H](c2cccc(F)c2)CC1=O
InChIInChI=1S/C17H17FN2O/c1-12-9-19-6-5-14(12)10-20-11-15(8-17(20)21)13-3-2-4-16(18)7-13/h2-7,9,15H,8,10-11H2,1H3/t15-/m1/s1
InChIKeyOEHDSDXNSVNPIU-OAHLLOKOSA-N
XLogP3.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one (CID 168511389) is (4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one is Cc1cnccc1CN1C[C@H](c2cccc(F)c2)CC1=O.
What is the InChIKey of (4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one?
The InChIKey is OEHDSDXNSVNPIU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-12-9-19-6-5-14(12)10-20-11-15(8-17(20)21)13-3-2-4-16(18)7-13/h2-7,9,15H,8,10-11H2,1H3/t15-/m1/s1.
What are the key properties of (4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one?
(4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one has a molecular weight of 284.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-fluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168511389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).