tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate

C12H19NO4 — CID 73083578

IUPACtert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate
SMILESC=CCC1OC(=O)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO4/c1-5-6-9-8(7-10(14)16-9)13-11(15)17-12(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,13,15)
InChIKeyWPAHISNNPVSOIW-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.77
Rot. Bonds3

About tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate

tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate (PubChem CID 73083578) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate
PubChem CID73083578
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nametert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate
SMILESC=CCC1OC(=O)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO4/c1-5-6-9-8(7-10(14)16-9)13-11(15)17-12(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,13,15)
InChIKeyWPAHISNNPVSOIW-UHFFFAOYSA-N
XLogP1.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate (CID 73083578) is tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate is C=CCC1OC(=O)CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate?
The InChIKey is WPAHISNNPVSOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-5-6-9-8(7-10(14)16-9)13-11(15)17-12(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,13,15).
What are the key properties of tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate?
tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate has a molecular weight of 241.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate is sourced from PubChem (CID 73083578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).