oxetan-2-yl N-ethylcarbamate

C6H11NO3 — CID 91144346

IUPACoxetan-2-yl N-ethylcarbamate
SMILESCCNC(=O)OC1CCO1
InChIInChI=1S/C6H11NO3/c1-2-7-6(8)10-5-3-4-9-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyJZKDLZDNUVSLQT-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.48
Rot. Bonds2

About oxetan-2-yl N-ethylcarbamate

oxetan-2-yl N-ethylcarbamate (PubChem CID 91144346) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is oxetan-2-yl N-ethylcarbamate.

Molecular Properties

Compound Nameoxetan-2-yl N-ethylcarbamate
PubChem CID91144346
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameoxetan-2-yl N-ethylcarbamate
SMILESCCNC(=O)OC1CCO1
InChIInChI=1S/C6H11NO3/c1-2-7-6(8)10-5-3-4-9-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyJZKDLZDNUVSLQT-UHFFFAOYSA-N
XLogP0.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxetan-2-yl N-methylcarbamate
CID 20764471
ethoxymethyl N-ethylcarbamate
CID 88999671
1-methoxyethyl N-ethylcarbamate
CID 139910851
1-ethoxyethyl N-propylcarbamate
CID 173853613
1-ethoxyethyl N-ethylcarbamate
CID 173853617
1-methoxyethyl N-propylcarbamate
CID 174619741

Frequently Asked Questions

What is the IUPAC name of oxetan-2-yl N-ethylcarbamate?
The IUPAC name of oxetan-2-yl N-ethylcarbamate (CID 91144346) is oxetan-2-yl N-ethylcarbamate.
What is the SMILES notation for oxetan-2-yl N-ethylcarbamate?
The canonical SMILES for oxetan-2-yl N-ethylcarbamate is CCNC(=O)OC1CCO1.
What is the InChIKey of oxetan-2-yl N-ethylcarbamate?
The InChIKey is JZKDLZDNUVSLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-7-6(8)10-5-3-4-9-5/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of oxetan-2-yl N-ethylcarbamate?
oxetan-2-yl N-ethylcarbamate has a molecular weight of 145.16 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-2-yl N-ethylcarbamate is sourced from PubChem (CID 91144346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).