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

C10H15NO4 — CID 22436158

IUPACethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate
SMILESC=COC(=O)OCC(C)N1CCCC1=O
InChIInChI=1S/C10H15NO4/c1-3-14-10(13)15-7-8(2)11-6-4-5-9(11)12/h3,8H,1,4-7H2,2H3
InChIKeyMXJXXNHGFYHUKI-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.29
Rot. Bonds4

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

ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate (PubChem CID 22436158) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate.

Molecular Properties

Compound Nameethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate
PubChem CID22436158
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate
SMILESC=COC(=O)OCC(C)N1CCCC1=O
InChIInChI=1S/C10H15NO4/c1-3-14-10(13)15-7-8(2)11-6-4-5-9(11)12/h3,8H,1,4-7H2,2H3
InChIKeyMXJXXNHGFYHUKI-UHFFFAOYSA-N
XLogP1.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.29
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 ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate?
The IUPAC name of ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate (CID 22436158) is ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate.
What is the SMILES notation for ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate?
The canonical SMILES for ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate is C=COC(=O)OCC(C)N1CCCC1=O.
What is the InChIKey of ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate?
The InChIKey is MXJXXNHGFYHUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-14-10(13)15-7-8(2)11-6-4-5-9(11)12/h3,8H,1,4-7H2,2H3.
What are the key properties of ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate?
ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate has a molecular weight of 213.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate is sourced from PubChem (CID 22436158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).