ethyl morpholin-3-yl carbonate

C7H13NO4 — CID 70458711

IUPACethyl morpholin-3-yl carbonate
SMILESCCOC(=O)OC1COCCN1
InChIInChI=1S/C7H13NO4/c1-2-11-7(9)12-6-5-10-4-3-8-6/h6,8H,2-5H2,1H3
InChIKeyGWHZIKVYMXTNII-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.11
Rot. Bonds2

About ethyl morpholin-3-yl carbonate

ethyl morpholin-3-yl carbonate (PubChem CID 70458711) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is ethyl morpholin-3-yl carbonate.

Molecular Properties

Compound Nameethyl morpholin-3-yl carbonate
PubChem CID70458711
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Nameethyl morpholin-3-yl carbonate
SMILESCCOC(=O)OC1COCCN1
InChIInChI=1S/C7H13NO4/c1-2-11-7(9)12-6-5-10-4-3-8-6/h6,8H,2-5H2,1H3
InChIKeyGWHZIKVYMXTNII-UHFFFAOYSA-N
XLogP0.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl morpholin-3-yl carbonate?
The IUPAC name of ethyl morpholin-3-yl carbonate (CID 70458711) is ethyl morpholin-3-yl carbonate.
What is the SMILES notation for ethyl morpholin-3-yl carbonate?
The canonical SMILES for ethyl morpholin-3-yl carbonate is CCOC(=O)OC1COCCN1.
What is the InChIKey of ethyl morpholin-3-yl carbonate?
The InChIKey is GWHZIKVYMXTNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-2-11-7(9)12-6-5-10-4-3-8-6/h6,8H,2-5H2,1H3.
What are the key properties of ethyl morpholin-3-yl carbonate?
ethyl morpholin-3-yl carbonate has a molecular weight of 175.18 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl morpholin-3-yl carbonate is sourced from PubChem (CID 70458711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).