prop-2-enyl N-(2-oxoethyl)carbamate

C6H9NO3 — CID 11446395

IUPACprop-2-enyl N-(2-oxoethyl)carbamate
SMILESC=CCOC(=O)NCC=O
InChIInChI=1S/C6H9NO3/c1-2-5-10-6(9)7-3-4-8/h2,4H,1,3,5H2,(H,7,9)
InChIKeyNHWYMEHASSSSEH-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.10
Rot. Bonds4

About prop-2-enyl N-(2-oxoethyl)carbamate

prop-2-enyl N-(2-oxoethyl)carbamate (PubChem CID 11446395) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is prop-2-enyl N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2-oxoethyl)carbamate
PubChem CID11446395
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Nameprop-2-enyl N-(2-oxoethyl)carbamate
SMILESC=CCOC(=O)NCC=O
InChIInChI=1S/C6H9NO3/c1-2-5-10-6(9)7-3-4-8/h2,4H,1,3,5H2,(H,7,9)
InChIKeyNHWYMEHASSSSEH-UHFFFAOYSA-N
XLogP0.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-oxoethyl)carbamate?
The IUPAC name of prop-2-enyl N-(2-oxoethyl)carbamate (CID 11446395) is prop-2-enyl N-(2-oxoethyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(2-oxoethyl)carbamate?
The canonical SMILES for prop-2-enyl N-(2-oxoethyl)carbamate is C=CCOC(=O)NCC=O.
What is the InChIKey of prop-2-enyl N-(2-oxoethyl)carbamate?
The InChIKey is NHWYMEHASSSSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-5-10-6(9)7-3-4-8/h2,4H,1,3,5H2,(H,7,9).
What are the key properties of prop-2-enyl N-(2-oxoethyl)carbamate?
prop-2-enyl N-(2-oxoethyl)carbamate has a molecular weight of 143.14 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(2-oxoethyl)carbamate is sourced from PubChem (CID 11446395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).