tert-butyl N-(2-ethynyloxolan-3-yl)carbamate

C11H17NO3 — CID 45092124

IUPACtert-butyl N-(2-ethynyloxolan-3-yl)carbamate
SMILESC#CC1OCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO3/c1-5-9-8(6-7-14-9)12-10(13)15-11(2,3)4/h1,8-9H,6-7H2,2-4H3,(H,12,13)
InChIKeyZZYCHWANMWNDOH-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.30
Rot. Bonds1

About tert-butyl N-(2-ethynyloxolan-3-yl)carbamate

tert-butyl N-(2-ethynyloxolan-3-yl)carbamate (PubChem CID 45092124) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl N-(2-ethynyloxolan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-ethynyloxolan-3-yl)carbamate
PubChem CID45092124
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nametert-butyl N-(2-ethynyloxolan-3-yl)carbamate
SMILESC#CC1OCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO3/c1-5-9-8(6-7-14-9)12-10(13)15-11(2,3)4/h1,8-9H,6-7H2,2-4H3,(H,12,13)
InChIKeyZZYCHWANMWNDOH-UHFFFAOYSA-N
XLogP1.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-ethynyloxolan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-ethynyloxolan-3-yl)carbamate (CID 45092124) is tert-butyl N-(2-ethynyloxolan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-ethynyloxolan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-ethynyloxolan-3-yl)carbamate is C#CC1OCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-ethynyloxolan-3-yl)carbamate?
The InChIKey is ZZYCHWANMWNDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-5-9-8(6-7-14-9)12-10(13)15-11(2,3)4/h1,8-9H,6-7H2,2-4H3,(H,12,13).
What are the key properties of tert-butyl N-(2-ethynyloxolan-3-yl)carbamate?
tert-butyl N-(2-ethynyloxolan-3-yl)carbamate has a molecular weight of 211.26 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-ethynyloxolan-3-yl)carbamate is sourced from PubChem (CID 45092124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).