tert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate

C11H21NO3 — CID 130253550

IUPACtert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate
SMILESC=CC(O)CN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-9(13)8-12(7-2)10(14)15-11(3,4)5/h6,9,13H,1,7-8H2,2-5H3
InChIKeyFNNKSVMSJBHDKI-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds4

About tert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate

tert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate (PubChem CID 130253550) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate
PubChem CID130253550
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate
SMILESC=CC(O)CN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-9(13)8-12(7-2)10(14)15-11(3,4)5/h6,9,13H,1,7-8H2,2-5H3
InChIKeyFNNKSVMSJBHDKI-UHFFFAOYSA-N
XLogP1.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.79
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-ethyl-N-(2-hydroxybut-3-enyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate (CID 130253550) is tert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate is C=CC(O)CN(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate?
The InChIKey is FNNKSVMSJBHDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-9(13)8-12(7-2)10(14)15-11(3,4)5/h6,9,13H,1,7-8H2,2-5H3.
What are the key properties of tert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate?
tert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(2-hydroxybut-3-enyl)carbamate is sourced from PubChem (CID 130253550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).