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

C8H11NO5 — CID 123142560

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C8H11NO5/c1-3-9-7(10)12-4-6-5(2)13-8(11)14-6/h3-4H2,1-2H3,(H,9,10)
InChIKeyWSVHITGUHNUYNQ-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.79
Rot. Bonds3

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate (PubChem CID 123142560) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate
PubChem CID123142560
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C8H11NO5/c1-3-9-7(10)12-4-6-5(2)13-8(11)14-6/h3-4H2,1-2H3,(H,9,10)
InChIKeyWSVHITGUHNUYNQ-UHFFFAOYSA-N
XLogP0.79
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate (CID 123142560) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate is CCNC(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate?
The InChIKey is WSVHITGUHNUYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-3-9-7(10)12-4-6-5(2)13-8(11)14-6/h3-4H2,1-2H3,(H,9,10).
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate has a molecular weight of 201.18 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate is sourced from PubChem (CID 123142560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).