oxiran-2-ylmethyl N-ethylcarbamate

C6H11NO3 — CID 19812631

IUPACoxiran-2-ylmethyl N-ethylcarbamate
SMILESCCNC(=O)OCC1CO1
InChIInChI=1S/C6H11NO3/c1-2-7-6(8)10-4-5-3-9-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyCYJYGHFPNHKGNB-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.13
Rot. Bonds3

About oxiran-2-ylmethyl N-ethylcarbamate

oxiran-2-ylmethyl N-ethylcarbamate (PubChem CID 19812631) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is oxiran-2-ylmethyl N-ethylcarbamate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl N-ethylcarbamate
PubChem CID19812631
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameoxiran-2-ylmethyl N-ethylcarbamate
SMILESCCNC(=O)OCC1CO1
InChIInChI=1S/C6H11NO3/c1-2-7-6(8)10-4-5-3-9-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyCYJYGHFPNHKGNB-UHFFFAOYSA-N
XLogP0.13
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.13
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-ethylcarbamate?
The IUPAC name of oxiran-2-ylmethyl N-ethylcarbamate (CID 19812631) is oxiran-2-ylmethyl N-ethylcarbamate.
What is the SMILES notation for oxiran-2-ylmethyl N-ethylcarbamate?
The canonical SMILES for oxiran-2-ylmethyl N-ethylcarbamate is CCNC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl N-ethylcarbamate?
The InChIKey is CYJYGHFPNHKGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-7-6(8)10-4-5-3-9-5/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of oxiran-2-ylmethyl N-ethylcarbamate?
oxiran-2-ylmethyl N-ethylcarbamate has a molecular weight of 145.16 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl N-ethylcarbamate is sourced from PubChem (CID 19812631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).