1-(4-chlorophenyl)-5-methylpyrrolidin-2-one

C11H12ClNO — CID 11687125

IUPAC1-(4-chlorophenyl)-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO/c1-8-2-7-11(14)13(8)10-5-3-9(12)4-6-10/h3-6,8H,2,7H2,1H3
InChIKeyXPDLRWGRKLYHAK-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.86
Rot. Bonds1

About 1-(4-chlorophenyl)-5-methylpyrrolidin-2-one

1-(4-chlorophenyl)-5-methylpyrrolidin-2-one (PubChem CID 11687125) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methylpyrrolidin-2-one
PubChem CID11687125
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-(4-chlorophenyl)-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO/c1-8-2-7-11(14)13(8)10-5-3-9(12)4-6-10/h3-6,8H,2,7H2,1H3
InChIKeyXPDLRWGRKLYHAK-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-5-methylpyrrolidin-2-one (CID 11687125) is 1-(4-chlorophenyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-methylpyrrolidin-2-one is CC1CCC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methylpyrrolidin-2-one?
The InChIKey is XPDLRWGRKLYHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-8-2-7-11(14)13(8)10-5-3-9(12)4-6-10/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-methylpyrrolidin-2-one?
1-(4-chlorophenyl)-5-methylpyrrolidin-2-one has a molecular weight of 209.68 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 11687125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).