[1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate

C15H17NO5 — CID 13202147

IUPAC[1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate
SMILESCCOC(=O)CN1CC(OC(=O)c2ccccc2)CC1=O
InChIInChI=1S/C15H17NO5/c1-2-20-14(18)10-16-9-12(8-13(16)17)21-15(19)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyZCVQNCJGSSLSCZ-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.01
Rot. Bonds5

About [1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate

[1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate (PubChem CID 13202147) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is [1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate.

Molecular Properties

Compound Name[1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate
PubChem CID13202147
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name[1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate
SMILESCCOC(=O)CN1CC(OC(=O)c2ccccc2)CC1=O
InChIInChI=1S/C15H17NO5/c1-2-20-14(18)10-16-9-12(8-13(16)17)21-15(19)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyZCVQNCJGSSLSCZ-UHFFFAOYSA-N
XLogP1.01
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate?
The IUPAC name of [1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate (CID 13202147) is [1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate.
What is the SMILES notation for [1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate?
The canonical SMILES for [1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate is CCOC(=O)CN1CC(OC(=O)c2ccccc2)CC1=O.
What is the InChIKey of [1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate?
The InChIKey is ZCVQNCJGSSLSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-2-20-14(18)10-16-9-12(8-13(16)17)21-15(19)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of [1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate?
[1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate has a molecular weight of 291.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate is sourced from PubChem (CID 13202147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).