(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one

C18H18N2O2 — CID 124851229

IUPAC(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
SMILESCC(=O)c1ccc(C[C@H]2CC(=O)N(c3ccccc3)C2)nc1
InChIInChI=1S/C18H18N2O2/c1-13(21)15-7-8-16(19-11-15)9-14-10-18(22)20(12-14)17-5-3-2-4-6-17/h2-8,11,14H,9-10,12H2,1H3/t14-/m0/s1
InChIKeyRYENHJQOOMMVJF-AWEZNQCLSA-N
MW294.35 g/mol
LogP2.88
Rot. Bonds4

About (4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one

(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one (PubChem CID 124851229) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
PubChem CID124851229
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
SMILESCC(=O)c1ccc(C[C@H]2CC(=O)N(c3ccccc3)C2)nc1
InChIInChI=1S/C18H18N2O2/c1-13(21)15-7-8-16(19-11-15)9-14-10-18(22)20(12-14)17-5-3-2-4-6-17/h2-8,11,14H,9-10,12H2,1H3/t14-/m0/s1
InChIKeyRYENHJQOOMMVJF-AWEZNQCLSA-N
XLogP2.88
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 91790354
1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91784595
(4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one
CID 124755909
N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 91829119
4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one
CID 91759927
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 91772946
4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one
CID 91840000
[1-(4-acetylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675238
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
(4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
CID 124754080
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one (CID 124851229) is (4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one is CC(=O)c1ccc(C[C@H]2CC(=O)N(c3ccccc3)C2)nc1.
What is the InChIKey of (4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is RYENHJQOOMMVJF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13(21)15-7-8-16(19-11-15)9-14-10-18(22)20(12-14)17-5-3-2-4-6-17/h2-8,11,14H,9-10,12H2,1H3/t14-/m0/s1.
What are the key properties of (4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one?
(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 294.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 124851229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).