methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate

C13H14ClNO3 — CID 10423122

IUPACmethyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H14ClNO3/c1-18-13(17)7-9-6-12(16)15(8-9)11-4-2-10(14)3-5-11/h2-5,9H,6-8H2,1H3
InChIKeyQMDGFUHNTXSAJX-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.26
Rot. Bonds3

About methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate

methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate (PubChem CID 10423122) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate
PubChem CID10423122
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Namemethyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H14ClNO3/c1-18-13(17)7-9-6-12(16)15(8-9)11-4-2-10(14)3-5-11/h2-5,9H,6-8H2,1H3
InChIKeyQMDGFUHNTXSAJX-UHFFFAOYSA-N
XLogP2.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate (CID 10423122) is methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate is COC(=O)CC1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate?
The InChIKey is QMDGFUHNTXSAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-18-13(17)7-9-6-12(16)15(8-9)11-4-2-10(14)3-5-11/h2-5,9H,6-8H2,1H3.
What are the key properties of methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate?
methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate has a molecular weight of 267.71 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate is sourced from PubChem (CID 10423122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).