ethyl N-(2-hydroxyethylidene)carbamate

C5H9NO3 — CID 173009776

IUPACethyl N-(2-hydroxyethylidene)carbamate
SMILESCCOC(=O)N=CCO
InChIInChI=1S/C5H9NO3/c1-2-9-5(8)6-3-4-7/h3,7H,2,4H2,1H3
InChIKeyJCPDGCHLHNTRAQ-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.21
Rot. Bonds2

About ethyl N-(2-hydroxyethylidene)carbamate

ethyl N-(2-hydroxyethylidene)carbamate (PubChem CID 173009776) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is ethyl N-(2-hydroxyethylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(2-hydroxyethylidene)carbamate
PubChem CID173009776
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Nameethyl N-(2-hydroxyethylidene)carbamate
SMILESCCOC(=O)N=CCO
InChIInChI=1S/C5H9NO3/c1-2-9-5(8)6-3-4-7/h3,7H,2,4H2,1H3
InChIKeyJCPDGCHLHNTRAQ-UHFFFAOYSA-N
XLogP0.21
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-hydroxyethylidene)carbamate?
The IUPAC name of ethyl N-(2-hydroxyethylidene)carbamate (CID 173009776) is ethyl N-(2-hydroxyethylidene)carbamate.
What is the SMILES notation for ethyl N-(2-hydroxyethylidene)carbamate?
The canonical SMILES for ethyl N-(2-hydroxyethylidene)carbamate is CCOC(=O)N=CCO.
What is the InChIKey of ethyl N-(2-hydroxyethylidene)carbamate?
The InChIKey is JCPDGCHLHNTRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-2-9-5(8)6-3-4-7/h3,7H,2,4H2,1H3.
What are the key properties of ethyl N-(2-hydroxyethylidene)carbamate?
ethyl N-(2-hydroxyethylidene)carbamate has a molecular weight of 131.13 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-hydroxyethylidene)carbamate is sourced from PubChem (CID 173009776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).