(4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one

C12H12FNO2 — CID 124634504

IUPAC(4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one
SMILESCC(=O)c1ccc([C@H]2CNC(=O)C2)cc1F
InChIInChI=1S/C12H12FNO2/c1-7(15)10-3-2-8(4-11(10)13)9-5-12(16)14-6-9/h2-4,9H,5-6H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyPRXABHBNDAQPIW-SECBINFHSA-N
MW221.23 g/mol
LogP1.63
Rot. Bonds2

About (4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one

(4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one (PubChem CID 124634504) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is (4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one
PubChem CID124634504
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name(4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one
SMILESCC(=O)c1ccc([C@H]2CNC(=O)C2)cc1F
InChIInChI=1S/C12H12FNO2/c1-7(15)10-3-2-8(4-11(10)13)9-5-12(16)14-6-9/h2-4,9H,5-6H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyPRXABHBNDAQPIW-SECBINFHSA-N
XLogP1.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
CID 53417800
4-(4-acetylphenyl)pyrrolidin-2-one
CID 53417765
4-(5-oxopyrrolidin-3-yl)benzoic acid
CID 82609571
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
4-(4-amino-3-methylphenyl)pyrrolidin-2-one
CID 53417806
(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
CID 124634608
4-(3-hydroxyphenyl)pyrrolidin-2-one
CID 23345041
(4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one
CID 11543770
4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66106950
4-[2-amino-5-[(3R)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluorobenzoic acid
CID 125468804
(4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid
CID 142352390
(4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one
CID 124634560

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one (CID 124634504) is (4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one is CC(=O)c1ccc([C@H]2CNC(=O)C2)cc1F.
What is the InChIKey of (4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one?
The InChIKey is PRXABHBNDAQPIW-SECBINFHSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-7(15)10-3-2-8(4-11(10)13)9-5-12(16)14-6-9/h2-4,9H,5-6H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one?
(4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one has a molecular weight of 221.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 124634504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).