prop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate

C11H19NO4 — CID 156500412

IUPACprop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate
SMILESC=CCOC(=O)N(CC=C)CC(OC)OC
InChIInChI=1S/C11H19NO4/c1-5-7-12(9-10(14-3)15-4)11(13)16-8-6-2/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyKDUUZMCAHULFEN-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.42
Rot. Bonds8

About prop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate

prop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate (PubChem CID 156500412) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is prop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate
PubChem CID156500412
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameprop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate
SMILESC=CCOC(=O)N(CC=C)CC(OC)OC
InChIInChI=1S/C11H19NO4/c1-5-7-12(9-10(14-3)15-4)11(13)16-8-6-2/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyKDUUZMCAHULFEN-UHFFFAOYSA-N
XLogP1.42
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate?
The IUPAC name of prop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate (CID 156500412) is prop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for prop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate?
The canonical SMILES for prop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate is C=CCOC(=O)N(CC=C)CC(OC)OC.
What is the InChIKey of prop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate?
The InChIKey is KDUUZMCAHULFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-5-7-12(9-10(14-3)15-4)11(13)16-8-6-2/h5-6,10H,1-2,7-9H2,3-4H3.
What are the key properties of prop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate?
prop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate has a molecular weight of 229.28 g/mol, XLogP of 1.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 156500412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).