ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate

C8H15NO5 — CID 145367345

IUPACethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate
SMILESCC.CNC(=O)OCC1COC(=O)O1
InChIInChI=1S/C6H9NO5.C2H6/c1-7-5(8)10-2-4-3-11-6(9)12-4;1-2/h4H,2-3H2,1H3,(H,7,8);1-2H3
InChIKeyKOOPTCZBVNIECI-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.90
Rot. Bonds2

About ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate

ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate (PubChem CID 145367345) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate.

Molecular Properties

Compound Nameethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate
PubChem CID145367345
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Nameethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate
SMILESCC.CNC(=O)OCC1COC(=O)O1
InChIInChI=1S/C6H9NO5.C2H6/c1-7-5(8)10-2-4-3-11-6(9)12-4;1-2/h4H,2-3H2,1H3,(H,7,8);1-2H3
InChIKeyKOOPTCZBVNIECI-UHFFFAOYSA-N
XLogP0.90
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate?
The IUPAC name of ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate (CID 145367345) is ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate.
What is the SMILES notation for ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate?
The canonical SMILES for ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate is CC.CNC(=O)OCC1COC(=O)O1.
What is the InChIKey of ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate?
The InChIKey is KOOPTCZBVNIECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5.C2H6/c1-7-5(8)10-2-4-3-11-6(9)12-4;1-2/h4H,2-3H2,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate?
ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate has a molecular weight of 205.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate is sourced from PubChem (CID 145367345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).