4-(2-chlorophenyl)-4-methylpyrrolidin-2-one

C11H12ClNO — CID 66108466

IUPAC4-(2-chlorophenyl)-4-methylpyrrolidin-2-one
SMILESCC1(c2ccccc2Cl)CNC(=O)C1
InChIInChI=1S/C11H12ClNO/c1-11(6-10(14)13-7-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyGOYYODRNIFSOSR-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.12
Rot. Bonds1

About 4-(2-chlorophenyl)-4-methylpyrrolidin-2-one

4-(2-chlorophenyl)-4-methylpyrrolidin-2-one (PubChem CID 66108466) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-4-methylpyrrolidin-2-one
PubChem CID66108466
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name4-(2-chlorophenyl)-4-methylpyrrolidin-2-one
SMILESCC1(c2ccccc2Cl)CNC(=O)C1
InChIInChI=1S/C11H12ClNO/c1-11(6-10(14)13-7-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyGOYYODRNIFSOSR-UHFFFAOYSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-4-methylpyrrolidin-2-one?
The IUPAC name of 4-(2-chlorophenyl)-4-methylpyrrolidin-2-one (CID 66108466) is 4-(2-chlorophenyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(2-chlorophenyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for 4-(2-chlorophenyl)-4-methylpyrrolidin-2-one is CC1(c2ccccc2Cl)CNC(=O)C1.
What is the InChIKey of 4-(2-chlorophenyl)-4-methylpyrrolidin-2-one?
The InChIKey is GOYYODRNIFSOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-11(6-10(14)13-7-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of 4-(2-chlorophenyl)-4-methylpyrrolidin-2-one?
4-(2-chlorophenyl)-4-methylpyrrolidin-2-one has a molecular weight of 209.68 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 66108466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).