methyl 2-(2-oxomorpholin-3-ylidene)acetate

C7H9NO4 — CID 2767664

IUPACmethyl 2-(2-oxomorpholin-3-ylidene)acetate
SMILESCOC(=O)C=C1NCCOC1=O
InChIInChI=1S/C7H9NO4/c1-11-6(9)4-5-7(10)12-3-2-8-5/h4,8H,2-3H2,1H3
InChIKeyVVKBPAYPLKTEFC-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.81
Rot. Bonds1

About methyl 2-(2-oxomorpholin-3-ylidene)acetate

methyl 2-(2-oxomorpholin-3-ylidene)acetate (PubChem CID 2767664) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is methyl 2-(2-oxomorpholin-3-ylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxomorpholin-3-ylidene)acetate
PubChem CID2767664
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Namemethyl 2-(2-oxomorpholin-3-ylidene)acetate
SMILESCOC(=O)C=C1NCCOC1=O
InChIInChI=1S/C7H9NO4/c1-11-6(9)4-5-7(10)12-3-2-8-5/h4,8H,2-3H2,1H3
InChIKeyVVKBPAYPLKTEFC-UHFFFAOYSA-N
XLogP-0.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxomorpholin-3-ylidene)acetate?
The IUPAC name of methyl 2-(2-oxomorpholin-3-ylidene)acetate (CID 2767664) is methyl 2-(2-oxomorpholin-3-ylidene)acetate.
What is the SMILES notation for methyl 2-(2-oxomorpholin-3-ylidene)acetate?
The canonical SMILES for methyl 2-(2-oxomorpholin-3-ylidene)acetate is COC(=O)C=C1NCCOC1=O.
What is the InChIKey of methyl 2-(2-oxomorpholin-3-ylidene)acetate?
The InChIKey is VVKBPAYPLKTEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-11-6(9)4-5-7(10)12-3-2-8-5/h4,8H,2-3H2,1H3.
What are the key properties of methyl 2-(2-oxomorpholin-3-ylidene)acetate?
methyl 2-(2-oxomorpholin-3-ylidene)acetate has a molecular weight of 171.15 g/mol, XLogP of -0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxomorpholin-3-ylidene)acetate is sourced from PubChem (CID 2767664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).