ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate

C9H13NO4 — CID 54519664

IUPACethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate
SMILESCCOC(=O)OC=CN1CCCC1=O
InChIInChI=1S/C9H13NO4/c1-2-13-9(12)14-7-6-10-5-3-4-8(10)11/h6-7H,2-5H2,1H3
InChIKeyYOWOBQVOYHQFRX-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.25
Rot. Bonds3

About ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate

ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate (PubChem CID 54519664) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate.

Molecular Properties

Compound Nameethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate
PubChem CID54519664
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Nameethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate
SMILESCCOC(=O)OC=CN1CCCC1=O
InChIInChI=1S/C9H13NO4/c1-2-13-9(12)14-7-6-10-5-3-4-8(10)11/h6-7H,2-5H2,1H3
InChIKeyYOWOBQVOYHQFRX-UHFFFAOYSA-N
XLogP1.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate?
The IUPAC name of ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate (CID 54519664) is ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate.
What is the SMILES notation for ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate?
The canonical SMILES for ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate is CCOC(=O)OC=CN1CCCC1=O.
What is the InChIKey of ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate?
The InChIKey is YOWOBQVOYHQFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-2-13-9(12)14-7-6-10-5-3-4-8(10)11/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate?
ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate has a molecular weight of 199.21 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate is sourced from PubChem (CID 54519664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).