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

C6H11NO3 — CID 3511397

IUPACprop-2-enyl N-(2-hydroxyethyl)carbamate
SMILESC=CCOC(=O)NCCO
InChIInChI=1S/C6H11NO3/c1-2-5-10-6(9)7-3-4-8/h2,8H,1,3-5H2,(H,7,9)
InChIKeyGIYCJRYESIQCEW-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.11
Rot. Bonds4

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

prop-2-enyl N-(2-hydroxyethyl)carbamate (PubChem CID 3511397) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is prop-2-enyl N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2-hydroxyethyl)carbamate
PubChem CID3511397
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameprop-2-enyl N-(2-hydroxyethyl)carbamate
SMILESC=CCOC(=O)NCCO
InChIInChI=1S/C6H11NO3/c1-2-5-10-6(9)7-3-4-8/h2,8H,1,3-5H2,(H,7,9)
InChIKeyGIYCJRYESIQCEW-UHFFFAOYSA-N
XLogP-0.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-hydroxyethyl)carbamate?
The IUPAC name of prop-2-enyl N-(2-hydroxyethyl)carbamate (CID 3511397) is prop-2-enyl N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(2-hydroxyethyl)carbamate?
The canonical SMILES for prop-2-enyl N-(2-hydroxyethyl)carbamate is C=CCOC(=O)NCCO.
What is the InChIKey of prop-2-enyl N-(2-hydroxyethyl)carbamate?
The InChIKey is GIYCJRYESIQCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-5-10-6(9)7-3-4-8/h2,8H,1,3-5H2,(H,7,9).
What are the key properties of prop-2-enyl N-(2-hydroxyethyl)carbamate?
prop-2-enyl N-(2-hydroxyethyl)carbamate has a molecular weight of 145.16 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 3511397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).