1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one

C12H12ClNO2 — CID 112536046

IUPAC1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one
SMILESO=C1CCN(C(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H12ClNO2/c13-10-3-1-9(2-4-10)7-12(16)14-6-5-11(15)8-14/h1-4H,5-8H2
InChIKeyALFCSISBZYSYML-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.68
Rot. Bonds2

About 1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one

1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one (PubChem CID 112536046) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one
PubChem CID112536046
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one
SMILESO=C1CCN(C(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H12ClNO2/c13-10-3-1-9(2-4-10)7-12(16)14-6-5-11(15)8-14/h1-4H,5-8H2
InChIKeyALFCSISBZYSYML-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one?
The IUPAC name of 1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one (CID 112536046) is 1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one is O=C1CCN(C(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one?
The InChIKey is ALFCSISBZYSYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-10-3-1-9(2-4-10)7-12(16)14-6-5-11(15)8-14/h1-4H,5-8H2.
What are the key properties of 1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one?
1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one has a molecular weight of 237.69 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one is sourced from PubChem (CID 112536046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).