tert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate

C11H19NO3 — CID 145006317

IUPACtert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate
SMILESC/C=C1\CC(NC(=O)OC(C)(C)C)CO1
InChIInChI=1S/C11H19NO3/c1-5-9-6-8(7-14-9)12-10(13)15-11(2,3)4/h5,8H,6-7H2,1-4H3,(H,12,13)/b9-5+
InChIKeyZJTPZAAUNLLBJJ-WEVVVXLNSA-N
MW213.28 g/mol
LogP2.20
Rot. Bonds1

About tert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate

tert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate (PubChem CID 145006317) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate
PubChem CID145006317
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate
SMILESC/C=C1\CC(NC(=O)OC(C)(C)C)CO1
InChIInChI=1S/C11H19NO3/c1-5-9-6-8(7-14-9)12-10(13)15-11(2,3)4/h5,8H,6-7H2,1-4H3,(H,12,13)/b9-5+
InChIKeyZJTPZAAUNLLBJJ-WEVVVXLNSA-N
XLogP2.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate (CID 145006317) is tert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate is C/C=C1\CC(NC(=O)OC(C)(C)C)CO1.
What is the InChIKey of tert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate?
The InChIKey is ZJTPZAAUNLLBJJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-9-6-8(7-14-9)12-10(13)15-11(2,3)4/h5,8H,6-7H2,1-4H3,(H,12,13)/b9-5+.
What are the key properties of tert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate?
tert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate is sourced from PubChem (CID 145006317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).