(2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate

C8H9NO5 — CID 68668735

IUPAC(2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C8H9NO5/c1-2-3-13-8(12)14-5-4-6(10)9-7(5)11/h2,5H,1,3-4H2,(H,9,10,11)
InChIKeyYOWVNYAMTCJWNE-UHFFFAOYSA-N
MW199.16 g/mol
LogP-0.26
Rot. Bonds3

About (2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate

(2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate (PubChem CID 68668735) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate
PubChem CID68668735
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name(2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C8H9NO5/c1-2-3-13-8(12)14-5-4-6(10)9-7(5)11/h2,5H,1,3-4H2,(H,9,10,11)
InChIKeyYOWVNYAMTCJWNE-UHFFFAOYSA-N
XLogP-0.26
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate (CID 68668735) is (2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate is C=CCOC(=O)OC1CC(=O)NC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate?
The InChIKey is YOWVNYAMTCJWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5/c1-2-3-13-8(12)14-5-4-6(10)9-7(5)11/h2,5H,1,3-4H2,(H,9,10,11).
What are the key properties of (2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate?
(2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate has a molecular weight of 199.16 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate is sourced from PubChem (CID 68668735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).