(2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate

C7H11NO5 — CID 68719570

IUPAC(2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate
SMILESCCNC(=O)OCC1COC(=O)O1
InChIInChI=1S/C7H11NO5/c1-2-8-6(9)11-3-5-4-12-7(10)13-5/h5H,2-4H2,1H3,(H,8,9)
InChIKeyWGUCKKUEOJLXAL-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.27
Rot. Bonds3

About (2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate

(2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate (PubChem CID 68719570) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate
PubChem CID68719570
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name(2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate
SMILESCCNC(=O)OCC1COC(=O)O1
InChIInChI=1S/C7H11NO5/c1-2-8-6(9)11-3-5-4-12-7(10)13-5/h5H,2-4H2,1H3,(H,8,9)
InChIKeyWGUCKKUEOJLXAL-UHFFFAOYSA-N
XLogP0.27
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate (CID 68719570) is (2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate is CCNC(=O)OCC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate?
The InChIKey is WGUCKKUEOJLXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c1-2-8-6(9)11-3-5-4-12-7(10)13-5/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of (2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate?
(2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate has a molecular weight of 189.17 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate is sourced from PubChem (CID 68719570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).