2-hydroxyethyl N-propylidenecarbamate

C6H11NO3 — CID 173271685

IUPAC2-hydroxyethyl N-propylidenecarbamate
SMILESCCC=NC(=O)OCCO
InChIInChI=1S/C6H11NO3/c1-2-3-7-6(9)10-5-4-8/h3,8H,2,4-5H2,1H3
InChIKeyLFDOTMXBRVCQFM-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.60
Rot. Bonds3

About 2-hydroxyethyl N-propylidenecarbamate

2-hydroxyethyl N-propylidenecarbamate (PubChem CID 173271685) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-hydroxyethyl N-propylidenecarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-propylidenecarbamate
PubChem CID173271685
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-hydroxyethyl N-propylidenecarbamate
SMILESCCC=NC(=O)OCCO
InChIInChI=1S/C6H11NO3/c1-2-3-7-6(9)10-5-4-8/h3,8H,2,4-5H2,1H3
InChIKeyLFDOTMXBRVCQFM-UHFFFAOYSA-N
XLogP0.60
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-propylidenecarbamate?
The IUPAC name of 2-hydroxyethyl N-propylidenecarbamate (CID 173271685) is 2-hydroxyethyl N-propylidenecarbamate.
What is the SMILES notation for 2-hydroxyethyl N-propylidenecarbamate?
The canonical SMILES for 2-hydroxyethyl N-propylidenecarbamate is CCC=NC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-propylidenecarbamate?
The InChIKey is LFDOTMXBRVCQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-3-7-6(9)10-5-4-8/h3,8H,2,4-5H2,1H3.
What are the key properties of 2-hydroxyethyl N-propylidenecarbamate?
2-hydroxyethyl N-propylidenecarbamate has a molecular weight of 145.16 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-propylidenecarbamate is sourced from PubChem (CID 173271685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).