methyl (E)-3-morpholin-4-ylprop-2-enoate

C8H13NO3 — CID 6149603

IUPACmethyl (E)-3-morpholin-4-ylprop-2-enoate
SMILESCOC(=O)/C=C/N1CCOCC1
InChIInChI=1S/C8H13NO3/c1-11-8(10)2-3-9-4-6-12-7-5-9/h2-3H,4-7H2,1H3/b3-2+
InChIKeyXFGDIQBAFODGRV-NSCUHMNNSA-N
MW171.20 g/mol
LogP0.01
Rot. Bonds2

About methyl (E)-3-morpholin-4-ylprop-2-enoate

methyl (E)-3-morpholin-4-ylprop-2-enoate (PubChem CID 6149603) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl (E)-3-morpholin-4-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-morpholin-4-ylprop-2-enoate
PubChem CID6149603
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl (E)-3-morpholin-4-ylprop-2-enoate
SMILESCOC(=O)/C=C/N1CCOCC1
InChIInChI=1S/C8H13NO3/c1-11-8(10)2-3-9-4-6-12-7-5-9/h2-3H,4-7H2,1H3/b3-2+
InChIKeyXFGDIQBAFODGRV-NSCUHMNNSA-N
XLogP0.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (E)-3-morpholin-4-ylprop-2-enoate?
The IUPAC name of methyl (E)-3-morpholin-4-ylprop-2-enoate (CID 6149603) is methyl (E)-3-morpholin-4-ylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-morpholin-4-ylprop-2-enoate?
The canonical SMILES for methyl (E)-3-morpholin-4-ylprop-2-enoate is COC(=O)/C=C/N1CCOCC1.
What is the InChIKey of methyl (E)-3-morpholin-4-ylprop-2-enoate?
The InChIKey is XFGDIQBAFODGRV-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H13NO3/c1-11-8(10)2-3-9-4-6-12-7-5-9/h2-3H,4-7H2,1H3/b3-2+.
What are the key properties of methyl (E)-3-morpholin-4-ylprop-2-enoate?
methyl (E)-3-morpholin-4-ylprop-2-enoate has a molecular weight of 171.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-morpholin-4-ylprop-2-enoate is sourced from PubChem (CID 6149603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).