ethyl N-methyl-N-(2-oxoethyl)carbamate

C6H11NO3 — CID 126971639

IUPACethyl N-methyl-N-(2-oxoethyl)carbamate
SMILESCCOC(=O)N(C)CC=O
InChIInChI=1S/C6H11NO3/c1-3-10-6(9)7(2)4-5-8/h5H,3-4H2,1-2H3
InChIKeyCXFZXUQYIHMZRD-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.27
Rot. Bonds3

About ethyl N-methyl-N-(2-oxoethyl)carbamate

ethyl N-methyl-N-(2-oxoethyl)carbamate (PubChem CID 126971639) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl N-methyl-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-(2-oxoethyl)carbamate
PubChem CID126971639
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethyl N-methyl-N-(2-oxoethyl)carbamate
SMILESCCOC(=O)N(C)CC=O
InChIInChI=1S/C6H11NO3/c1-3-10-6(9)7(2)4-5-8/h5H,3-4H2,1-2H3
InChIKeyCXFZXUQYIHMZRD-UHFFFAOYSA-N
XLogP0.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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ethyl N-(2-chloroethyl)-N-methylcarbamate
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2-oxoethyl N-ethyl-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-(2-oxoethyl)carbamate?
The IUPAC name of ethyl N-methyl-N-(2-oxoethyl)carbamate (CID 126971639) is ethyl N-methyl-N-(2-oxoethyl)carbamate.
What is the SMILES notation for ethyl N-methyl-N-(2-oxoethyl)carbamate?
The canonical SMILES for ethyl N-methyl-N-(2-oxoethyl)carbamate is CCOC(=O)N(C)CC=O.
What is the InChIKey of ethyl N-methyl-N-(2-oxoethyl)carbamate?
The InChIKey is CXFZXUQYIHMZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-10-6(9)7(2)4-5-8/h5H,3-4H2,1-2H3.
What are the key properties of ethyl N-methyl-N-(2-oxoethyl)carbamate?
ethyl N-methyl-N-(2-oxoethyl)carbamate has a molecular weight of 145.16 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-(2-oxoethyl)carbamate is sourced from PubChem (CID 126971639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).