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

C9H15NO4 — CID 3297380

IUPACtert-butyl N-(2-oxooxolan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCOC1=O
InChIInChI=1S/C9H15NO4/c1-9(2,3)14-8(12)10-6-4-5-13-7(6)11/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyIMWMFJMYEKHYKG-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.83
Rot. Bonds1

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

tert-butyl N-(2-oxooxolan-3-yl)carbamate (PubChem CID 3297380) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is tert-butyl N-(2-oxooxolan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxooxolan-3-yl)carbamate
PubChem CID3297380
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nametert-butyl N-(2-oxooxolan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCOC1=O
InChIInChI=1S/C9H15NO4/c1-9(2,3)14-8(12)10-6-4-5-13-7(6)11/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyIMWMFJMYEKHYKG-UHFFFAOYSA-N
XLogP0.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxooxolan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxooxolan-3-yl)carbamate (CID 3297380) is tert-butyl N-(2-oxooxolan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxooxolan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxooxolan-3-yl)carbamate is CC(C)(C)OC(=O)NC1CCOC1=O.
What is the InChIKey of tert-butyl N-(2-oxooxolan-3-yl)carbamate?
The InChIKey is IMWMFJMYEKHYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2,3)14-8(12)10-6-4-5-13-7(6)11/h6H,4-5H2,1-3H3,(H,10,12).
What are the key properties of tert-butyl N-(2-oxooxolan-3-yl)carbamate?
tert-butyl N-(2-oxooxolan-3-yl)carbamate has a molecular weight of 201.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxooxolan-3-yl)carbamate is sourced from PubChem (CID 3297380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).