tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate

C10H19NO3 — CID 71911299

IUPACtert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-6-11(7-8-12)9(13)14-10(2,3)4/h5,12H,1,6-8H2,2-4H3
InChIKeyORYSPYYKPOZHPF-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.40
Rot. Bonds4

About tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate

tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate (PubChem CID 71911299) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate
PubChem CID71911299
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-6-11(7-8-12)9(13)14-10(2,3)4/h5,12H,1,6-8H2,2-4H3
InChIKeyORYSPYYKPOZHPF-UHFFFAOYSA-N
XLogP1.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.40
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 tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate (CID 71911299) is tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate is C=CCN(CCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate?
The InChIKey is ORYSPYYKPOZHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-6-11(7-8-12)9(13)14-10(2,3)4/h5,12H,1,6-8H2,2-4H3.
What are the key properties of tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate?
tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate has a molecular weight of 201.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 71911299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).