oxiran-2-ylmethyl N-methylcarbamate

C5H9NO3 — CID 19812629

IUPACoxiran-2-ylmethyl N-methylcarbamate
SMILESCNC(=O)OCC1CO1
InChIInChI=1S/C5H9NO3/c1-6-5(7)9-3-4-2-8-4/h4H,2-3H2,1H3,(H,6,7)
InChIKeyLUFGQQJTLIAFBC-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.26
Rot. Bonds2

About oxiran-2-ylmethyl N-methylcarbamate

oxiran-2-ylmethyl N-methylcarbamate (PubChem CID 19812629) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is oxiran-2-ylmethyl N-methylcarbamate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl N-methylcarbamate
PubChem CID19812629
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Nameoxiran-2-ylmethyl N-methylcarbamate
SMILESCNC(=O)OCC1CO1
InChIInChI=1S/C5H9NO3/c1-6-5(7)9-3-4-2-8-4/h4H,2-3H2,1H3,(H,6,7)
InChIKeyLUFGQQJTLIAFBC-UHFFFAOYSA-N
XLogP-0.26
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-methylcarbamate?
The IUPAC name of oxiran-2-ylmethyl N-methylcarbamate (CID 19812629) is oxiran-2-ylmethyl N-methylcarbamate.
What is the SMILES notation for oxiran-2-ylmethyl N-methylcarbamate?
The canonical SMILES for oxiran-2-ylmethyl N-methylcarbamate is CNC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl N-methylcarbamate?
The InChIKey is LUFGQQJTLIAFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-6-5(7)9-3-4-2-8-4/h4H,2-3H2,1H3,(H,6,7).
What are the key properties of oxiran-2-ylmethyl N-methylcarbamate?
oxiran-2-ylmethyl N-methylcarbamate has a molecular weight of 131.13 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl N-methylcarbamate is sourced from PubChem (CID 19812629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).