prop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate

C10H15NO5 — CID 10857229

IUPACprop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate
SMILESC=CCOC(=O)N[C@H]1CC(=O)O[C@H]1OCC
InChIInChI=1S/C10H15NO5/c1-3-5-15-10(13)11-7-6-8(12)16-9(7)14-4-2/h3,7,9H,1,4-6H2,2H3,(H,11,13)/t7-,9+/m0/s1
InChIKeyJSFRNUHSBARPHY-IONNQARKSA-N
MW229.23 g/mol
LogP0.58
Rot. Bonds5

About prop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate

prop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate (PubChem CID 10857229) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is prop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate
PubChem CID10857229
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Nameprop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate
SMILESC=CCOC(=O)N[C@H]1CC(=O)O[C@H]1OCC
InChIInChI=1S/C10H15NO5/c1-3-5-15-10(13)11-7-6-8(12)16-9(7)14-4-2/h3,7,9H,1,4-6H2,2H3,(H,11,13)/t7-,9+/m0/s1
InChIKeyJSFRNUHSBARPHY-IONNQARKSA-N
XLogP0.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 prop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate?
The IUPAC name of prop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate (CID 10857229) is prop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate is C=CCOC(=O)N[C@H]1CC(=O)O[C@H]1OCC.
What is the InChIKey of prop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate?
The InChIKey is JSFRNUHSBARPHY-IONNQARKSA-N. The full InChI is InChI=1S/C10H15NO5/c1-3-5-15-10(13)11-7-6-8(12)16-9(7)14-4-2/h3,7,9H,1,4-6H2,2H3,(H,11,13)/t7-,9+/m0/s1.
What are the key properties of prop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate?
prop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate has a molecular weight of 229.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate is sourced from PubChem (CID 10857229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).