oxiran-2-ylmethyl N-ethylidenecarbamate

C6H9NO3 — CID 91194686

IUPACoxiran-2-ylmethyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCC1CO1
InChIInChI=1S/C6H9NO3/c1-2-7-6(8)10-4-5-3-9-5/h2,5H,3-4H2,1H3
InChIKeySYFMFLPWTOVPTG-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.61
Rot. Bonds2

About oxiran-2-ylmethyl N-ethylidenecarbamate

oxiran-2-ylmethyl N-ethylidenecarbamate (PubChem CID 91194686) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is oxiran-2-ylmethyl N-ethylidenecarbamate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl N-ethylidenecarbamate
PubChem CID91194686
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Nameoxiran-2-ylmethyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCC1CO1
InChIInChI=1S/C6H9NO3/c1-2-7-6(8)10-4-5-3-9-5/h2,5H,3-4H2,1H3
InChIKeySYFMFLPWTOVPTG-UHFFFAOYSA-N
XLogP0.61
TPSA51.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl N-ethylidenecarbamate?
The IUPAC name of oxiran-2-ylmethyl N-ethylidenecarbamate (CID 91194686) is oxiran-2-ylmethyl N-ethylidenecarbamate.
What is the SMILES notation for oxiran-2-ylmethyl N-ethylidenecarbamate?
The canonical SMILES for oxiran-2-ylmethyl N-ethylidenecarbamate is CC=NC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl N-ethylidenecarbamate?
The InChIKey is SYFMFLPWTOVPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-7-6(8)10-4-5-3-9-5/h2,5H,3-4H2,1H3.
What are the key properties of oxiran-2-ylmethyl N-ethylidenecarbamate?
oxiran-2-ylmethyl N-ethylidenecarbamate has a molecular weight of 143.14 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl N-ethylidenecarbamate is sourced from PubChem (CID 91194686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).