3-(4-chlorophenyl)pyrrolidin-2-one

C10H10ClNO — CID 54488848

IUPAC3-(4-chlorophenyl)pyrrolidin-2-one
SMILESO=C1NCCC1c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO/c11-8-3-1-7(2-4-8)9-5-6-12-10(9)13/h1-4,9H,5-6H2,(H,12,13)
InChIKeyXUHZYYCMBOYAHK-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.94
Rot. Bonds1

About 3-(4-chlorophenyl)pyrrolidin-2-one

3-(4-chlorophenyl)pyrrolidin-2-one (PubChem CID 54488848) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-(4-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)pyrrolidin-2-one
PubChem CID54488848
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name3-(4-chlorophenyl)pyrrolidin-2-one
SMILESO=C1NCCC1c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO/c11-8-3-1-7(2-4-8)9-5-6-12-10(9)13/h1-4,9H,5-6H2,(H,12,13)
InChIKeyXUHZYYCMBOYAHK-UHFFFAOYSA-N
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of 3-(4-chlorophenyl)pyrrolidin-2-one (CID 54488848) is 3-(4-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)pyrrolidin-2-one is O=C1NCCC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)pyrrolidin-2-one?
The InChIKey is XUHZYYCMBOYAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-8-3-1-7(2-4-8)9-5-6-12-10(9)13/h1-4,9H,5-6H2,(H,12,13).
What are the key properties of 3-(4-chlorophenyl)pyrrolidin-2-one?
3-(4-chlorophenyl)pyrrolidin-2-one has a molecular weight of 195.65 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 54488848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).