azetidin-3-yl N-ethylcarbamate

C6H12N2O2 — CID 79338252

IUPACazetidin-3-yl N-ethylcarbamate
SMILESCCNC(=O)OC1CNC1
InChIInChI=1S/C6H12N2O2/c1-2-8-6(9)10-5-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyLRWYTBLXDHLWQW-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.30
Rot. Bonds2

About azetidin-3-yl N-ethylcarbamate

azetidin-3-yl N-ethylcarbamate (PubChem CID 79338252) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is azetidin-3-yl N-ethylcarbamate.

Molecular Properties

Compound Nameazetidin-3-yl N-ethylcarbamate
PubChem CID79338252
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Nameazetidin-3-yl N-ethylcarbamate
SMILESCCNC(=O)OC1CNC1
InChIInChI=1S/C6H12N2O2/c1-2-8-6(9)10-5-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyLRWYTBLXDHLWQW-UHFFFAOYSA-N
XLogP-0.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl N-ethylcarbamate?
The IUPAC name of azetidin-3-yl N-ethylcarbamate (CID 79338252) is azetidin-3-yl N-ethylcarbamate.
What is the SMILES notation for azetidin-3-yl N-ethylcarbamate?
The canonical SMILES for azetidin-3-yl N-ethylcarbamate is CCNC(=O)OC1CNC1.
What is the InChIKey of azetidin-3-yl N-ethylcarbamate?
The InChIKey is LRWYTBLXDHLWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-8-6(9)10-5-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9).
What are the key properties of azetidin-3-yl N-ethylcarbamate?
azetidin-3-yl N-ethylcarbamate has a molecular weight of 144.17 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl N-ethylcarbamate is sourced from PubChem (CID 79338252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).