2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate

C13H14ClNO3 — CID 2375154

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate
SMILESO=C(OCCN1CCCC1=O)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO3/c14-11-4-1-3-10(9-11)13(17)18-8-7-15-6-2-5-12(15)16/h1,3-4,9H,2,5-8H2
InChIKeyVVDTXGPCOWEIMK-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate

2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate (PubChem CID 2375154) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate
PubChem CID2375154
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate
SMILESO=C(OCCN1CCCC1=O)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO3/c14-11-4-1-3-10(9-11)13(17)18-8-7-15-6-2-5-12(15)16/h1,3-4,9H,2,5-8H2
InChIKeyVVDTXGPCOWEIMK-UHFFFAOYSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate (CID 2375154) is 2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate is O=C(OCCN1CCCC1=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate?
The InChIKey is VVDTXGPCOWEIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-11-4-1-3-10(9-11)13(17)18-8-7-15-6-2-5-12(15)16/h1,3-4,9H,2,5-8H2.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate?
2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate has a molecular weight of 267.71 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethyl 3-chlorobenzoate is sourced from PubChem (CID 2375154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).