oxetan-2-yl N-methylcarbamate

C5H9NO3 — CID 20764471

IUPACoxetan-2-yl N-methylcarbamate
SMILESCNC(=O)OC1CCO1
InChIInChI=1S/C5H9NO3/c1-6-5(7)9-4-2-3-8-4/h4H,2-3H2,1H3,(H,6,7)
InChIKeyZWBOQGWIIMNKKC-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.09
Rot. Bonds1

About oxetan-2-yl N-methylcarbamate

oxetan-2-yl N-methylcarbamate (PubChem CID 20764471) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is oxetan-2-yl N-methylcarbamate.

Molecular Properties

Compound Nameoxetan-2-yl N-methylcarbamate
PubChem CID20764471
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Nameoxetan-2-yl N-methylcarbamate
SMILESCNC(=O)OC1CCO1
InChIInChI=1S/C5H9NO3/c1-6-5(7)9-4-2-3-8-4/h4H,2-3H2,1H3,(H,6,7)
InChIKeyZWBOQGWIIMNKKC-UHFFFAOYSA-N
XLogP0.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxyethyl N-methylcarbamate
CID 57018605
oxetan-2-yl N-ethylcarbamate
CID 91144346
oxetan-2-yl N,N-dimethylcarbamate
CID 91169743
1-methoxyethyl N-methylcarbamate
CID 118894372
3,3-diethoxypropyl N-methylcarbamate
CID 140637731
(1-methoxy-2-methylpropyl) N-methylcarbamate
CID 21718998
Ethyl ((ethoxymethoxy)methyl)carbamate
CID 121227516

Frequently Asked Questions

What is the IUPAC name of oxetan-2-yl N-methylcarbamate?
The IUPAC name of oxetan-2-yl N-methylcarbamate (CID 20764471) is oxetan-2-yl N-methylcarbamate.
What is the SMILES notation for oxetan-2-yl N-methylcarbamate?
The canonical SMILES for oxetan-2-yl N-methylcarbamate is CNC(=O)OC1CCO1.
What is the InChIKey of oxetan-2-yl N-methylcarbamate?
The InChIKey is ZWBOQGWIIMNKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-6-5(7)9-4-2-3-8-4/h4H,2-3H2,1H3,(H,6,7).
What are the key properties of oxetan-2-yl N-methylcarbamate?
oxetan-2-yl N-methylcarbamate has a molecular weight of 131.13 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-2-yl N-methylcarbamate is sourced from PubChem (CID 20764471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).