ethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate

C10H19NO4 — CID 10943907

IUPACethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CC(OC)OC)C(=O)OCC
InChIInChI=1S/C10H19NO4/c1-5-7-11(10(12)15-6-2)8-9(13-3)14-4/h5,9H,1,6-8H2,2-4H3
InChIKeySXIOXBYMPVICFV-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.25
Rot. Bonds7

About ethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate

ethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate (PubChem CID 10943907) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nameethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate
PubChem CID10943907
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CC(OC)OC)C(=O)OCC
InChIInChI=1S/C10H19NO4/c1-5-7-11(10(12)15-6-2)8-9(13-3)14-4/h5,9H,1,6-8H2,2-4H3
InChIKeySXIOXBYMPVICFV-UHFFFAOYSA-N
XLogP1.25
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate?
The IUPAC name of ethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate (CID 10943907) is ethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for ethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate?
The canonical SMILES for ethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate is C=CCN(CC(OC)OC)C(=O)OCC.
What is the InChIKey of ethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate?
The InChIKey is SXIOXBYMPVICFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-7-11(10(12)15-6-2)8-9(13-3)14-4/h5,9H,1,6-8H2,2-4H3.
What are the key properties of ethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate?
ethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate has a molecular weight of 217.26 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 10943907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).