1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

C13H14ClNO3 — CID 168662051

IUPAC1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(=O)c1ccc(Cl)c(N2CC(CO)CC2=O)c1
InChIInChI=1S/C13H14ClNO3/c1-8(17)10-2-3-11(14)12(5-10)15-6-9(7-16)4-13(15)18/h2-3,5,9,16H,4,6-7H2,1H3
InChIKeyBWKTYWCGMXIEEA-UHFFFAOYSA-N
MW267.71 g/mol
LogP1.89
Rot. Bonds3

About 1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168662051) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168662051
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(=O)c1ccc(Cl)c(N2CC(CO)CC2=O)c1
InChIInChI=1S/C13H14ClNO3/c1-8(17)10-2-3-11(14)12(5-10)15-6-9(7-16)4-13(15)18/h2-3,5,9,16H,4,6-7H2,1H3
InChIKeyBWKTYWCGMXIEEA-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663464
1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696136
methyl 3-chloro-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168662293
1-(5-acetyl-2-bromophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507050
N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 168507032
4-chloro-3-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168682408
1-(2,4-dichloro-5-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663323
methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methoxybenzoate
CID 168662302
N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide
CID 168655979
1-(3,4-dichloro-2-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663351
1-(3-acetyl-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662057
methyl 2-chloro-5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168662286

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168662051) is 1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is CC(=O)c1ccc(Cl)c(N2CC(CO)CC2=O)c1.
What is the InChIKey of 1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is BWKTYWCGMXIEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-8(17)10-2-3-11(14)12(5-10)15-6-9(7-16)4-13(15)18/h2-3,5,9,16H,4,6-7H2,1H3.
What are the key properties of 1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 267.71 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168662051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).