prop-2-enyl N-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate

C13H19NO5 — CID 18465755

IUPACprop-2-enyl N-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate
SMILESC=CCOC(=O)NC1CC(=O)OC1OC1CCCC1
InChIInChI=1S/C13H19NO5/c1-2-7-17-13(16)14-10-8-11(15)19-12(10)18-9-5-3-4-6-9/h2,9-10,12H,1,3-8H2,(H,14,16)
InChIKeyKEFLGYSYYPJLJE-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.50
Rot. Bonds5

About prop-2-enyl N-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate

prop-2-enyl N-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate (PubChem CID 18465755) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is prop-2-enyl N-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate
PubChem CID18465755
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Nameprop-2-enyl N-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate
SMILESC=CCOC(=O)NC1CC(=O)OC1OC1CCCC1
InChIInChI=1S/C13H19NO5/c1-2-7-17-13(16)14-10-8-11(15)19-12(10)18-9-5-3-4-6-9/h2,9-10,12H,1,3-8H2,(H,14,16)
InChIKeyKEFLGYSYYPJLJE-UHFFFAOYSA-N
XLogP1.50
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.50
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-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate?
The IUPAC name of prop-2-enyl N-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate (CID 18465755) is prop-2-enyl N-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate.
What is the SMILES notation for prop-2-enyl N-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate?
The canonical SMILES for prop-2-enyl N-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate is C=CCOC(=O)NC1CC(=O)OC1OC1CCCC1.
What is the InChIKey of prop-2-enyl N-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate?
The InChIKey is KEFLGYSYYPJLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-2-7-17-13(16)14-10-8-11(15)19-12(10)18-9-5-3-4-6-9/h2,9-10,12H,1,3-8H2,(H,14,16).
What are the key properties of prop-2-enyl N-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate?
prop-2-enyl N-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate has a molecular weight of 269.30 g/mol, XLogP of 1.50, 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-(2-cyclopentyloxy-5-oxooxolan-3-yl)carbamate is sourced from PubChem (CID 18465755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).