tert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate

C11H19NO3 — CID 86665671

IUPACtert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)C(O)C=C
InChIInChI=1S/C11H19NO3/c1-6-8-12(9(13)7-2)10(14)15-11(3,4)5/h6-7,9,13H,1-2,8H2,3-5H3
InChIKeyORFXUFVJQBGDBK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.91
Rot. Bonds4

About tert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate

tert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate (PubChem CID 86665671) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate
PubChem CID86665671
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)C(O)C=C
InChIInChI=1S/C11H19NO3/c1-6-8-12(9(13)7-2)10(14)15-11(3,4)5/h6-7,9,13H,1-2,8H2,3-5H3
InChIKeyORFXUFVJQBGDBK-UHFFFAOYSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 tert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate (CID 86665671) is tert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)C(O)C=C.
What is the InChIKey of tert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate?
The InChIKey is ORFXUFVJQBGDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-6-8-12(9(13)7-2)10(14)15-11(3,4)5/h6-7,9,13H,1-2,8H2,3-5H3.
What are the key properties of tert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate?
tert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate has a molecular weight of 213.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxyprop-2-enyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 86665671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).