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

C11H17NO5 — CID 88849448

IUPAC2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate
SMILESO=C(OCCC1CO1)OCCN1CCCC1=O
InChIInChI=1S/C11H17NO5/c13-10-2-1-4-12(10)5-7-16-11(14)15-6-3-9-8-17-9/h9H,1-8H2
InChIKeyPIQXXAKVIIBPSJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.55
Rot. Bonds6

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

2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate (PubChem CID 88849448) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate.

Molecular Properties

Compound Name2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate
PubChem CID88849448
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate
SMILESO=C(OCCC1CO1)OCCN1CCCC1=O
InChIInChI=1S/C11H17NO5/c13-10-2-1-4-12(10)5-7-16-11(14)15-6-3-9-8-17-9/h9H,1-8H2
InChIKeyPIQXXAKVIIBPSJ-UHFFFAOYSA-N
XLogP0.55
TPSA68.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[2-(oxiran-2-yl)ethyl]piperidin-2-one
CID 130575448
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate
CID 130382780
1,1-difluoro-2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethanesulfonate
CID 58520241
2-(2-oxopyrrolidin-1-yl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 58935228
2-(2-oxopyrrolidin-1-yl)ethyl 2-chloro-2-methylbutanoate
CID 175623661
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
CID 117060433
(Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid
CID 145314565
2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate
CID 2375129
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate
CID 2420777

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate?
The IUPAC name of 2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate (CID 88849448) is 2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate.
What is the SMILES notation for 2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate?
The canonical SMILES for 2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate is O=C(OCCC1CO1)OCCN1CCCC1=O.
What is the InChIKey of 2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate?
The InChIKey is PIQXXAKVIIBPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c13-10-2-1-4-12(10)5-7-16-11(14)15-6-3-9-8-17-9/h9H,1-8H2.
What are the key properties of 2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate?
2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate has a molecular weight of 243.26 g/mol, XLogP of 0.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate is sourced from PubChem (CID 88849448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).