ethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate

C8H15NO3 — CID 115776119

IUPACethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCO)C(=O)OCC
InChIInChI=1S/C8H15NO3/c1-3-5-9(6-7-10)8(11)12-4-2/h3,10H,1,4-7H2,2H3
InChIKeyJDDANCTYVMFJBX-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.62
Rot. Bonds5

About ethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate

ethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate (PubChem CID 115776119) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nameethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate
PubChem CID115776119
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCO)C(=O)OCC
InChIInChI=1S/C8H15NO3/c1-3-5-9(6-7-10)8(11)12-4-2/h3,10H,1,4-7H2,2H3
InChIKeyJDDANCTYVMFJBX-UHFFFAOYSA-N
XLogP0.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate?
The IUPAC name of ethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate (CID 115776119) is ethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for ethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate?
The canonical SMILES for ethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate is C=CCN(CCO)C(=O)OCC.
What is the InChIKey of ethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate?
The InChIKey is JDDANCTYVMFJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-5-9(6-7-10)8(11)12-4-2/h3,10H,1,4-7H2,2H3.
What are the key properties of ethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate?
ethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate has a molecular weight of 173.21 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 115776119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).