oxetan-2-yl N,N-diethylcarbamate

C8H15NO3 — CID 91391054

IUPACoxetan-2-yl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1CCO1
InChIInChI=1S/C8H15NO3/c1-3-9(4-2)8(10)12-7-5-6-11-7/h7H,3-6H2,1-2H3
InChIKeyXWWIMOMPXQKHEX-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.21
Rot. Bonds3

About oxetan-2-yl N,N-diethylcarbamate

oxetan-2-yl N,N-diethylcarbamate (PubChem CID 91391054) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is oxetan-2-yl N,N-diethylcarbamate.

Molecular Properties

Compound Nameoxetan-2-yl N,N-diethylcarbamate
PubChem CID91391054
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameoxetan-2-yl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1CCO1
InChIInChI=1S/C8H15NO3/c1-3-9(4-2)8(10)12-7-5-6-11-7/h7H,3-6H2,1-2H3
InChIKeyXWWIMOMPXQKHEX-UHFFFAOYSA-N
XLogP1.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxetan-2-yl N,N-diethylcarbamate?
The IUPAC name of oxetan-2-yl N,N-diethylcarbamate (CID 91391054) is oxetan-2-yl N,N-diethylcarbamate.
What is the SMILES notation for oxetan-2-yl N,N-diethylcarbamate?
The canonical SMILES for oxetan-2-yl N,N-diethylcarbamate is CCN(CC)C(=O)OC1CCO1.
What is the InChIKey of oxetan-2-yl N,N-diethylcarbamate?
The InChIKey is XWWIMOMPXQKHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-9(4-2)8(10)12-7-5-6-11-7/h7H,3-6H2,1-2H3.
What are the key properties of oxetan-2-yl N,N-diethylcarbamate?
oxetan-2-yl N,N-diethylcarbamate has a molecular weight of 173.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-2-yl N,N-diethylcarbamate is sourced from PubChem (CID 91391054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).